MetaboLights MTBLS90 → GO bridge coverage
Input: MetaboLights MTBLS90
Generated by coverage_probe.py — all numbers
computed live from OLS4 (ChEBI), the Rhea REST API, and the GO rhea2go mapping.
Why this probe exists
Reported metabolite ChEBI ids rarely match Rhea participants directly,
for two reasons we test as successive normalization tiers:
- Protonation — Rhea writes participants in their major protonation
state at pH 7.3 (citrate(3-),ATP(4-)); repositories report neutral
forms. We expand over ChEBIis_protonated_form_of/
is_deprotonated_form_of(the protonation family). - Structure / skeleton — a study reports a generic, non-stereospecific
compound (isoleucine) while Rhea uses the stereospecific zwitterion
(L-isoleucine zwitterion). We expand over the broader structural
relations (+ tautomer/enantiomer + generic→specificchildren), bounded
to the seed's InChIKey skeleton. This tier is stereo/charge-blind, so
it is reported separately as the more permissive fallback.
Headline
- Metabolites probed: 208 (resolved to ChEBI: 208)
- In a Rhea reaction — exact: 39/208 → +protonation: 74/208 → +structure: 110/208
- Reaching a GO MF term (rhea2go) — exact: 34 → +protonation: 68 → +structure: 92 (of 208)
- Recovered by protonation: 35; additionally by structure/skeleton: 36
Per-metabolite
Tier reached: exact < proton (protonation) < struct (skeleton) < — (miss).
| Metabolite | Seed ChEBI | q | Tier | GO MF (exact→proton→struct) | Rhea-matched form |
|---|---|---|---|---|---|
| N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine | CHEBI:105799 | 0 | — | 0→0→0 | — |
| oleamide | CHEBI:116314 | 0 | exact | 1→1→1 | oleamide (CHEBI:116314, q=0) |
| phosphatidylcholine 29:1 | CHEBI:131438 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 42:7 | CHEBI:131440 | 0 | — | 0→0→0 | — |
| phosphatidylserine 18:0 | CHEBI:131443 | 0 | — | 0→0→0 | — |
| phosphatidylethanolamine 37:3 zwitterion | CHEBI:131581 | 0 | — | 0→0→0 | — |
| phosphatidylethanolamine 37:2 zwitterion | CHEBI:131583 | 0 | — | 0→0→0 | — |
| phosphatidylethanolamine 37:5 zwitterion | CHEBI:131584 | 0 | struct | 0→0→1 | 1-(10Z-heptadecenoyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:149769, q=0) |
| phosphatidylethanolamine 39:3 zwitterion | CHEBI:131585 | 0 | — | 0→0→0 | — |
| phosphatidylethanolamine 41:5 zwitterion | CHEBI:131586 | 0 | — | 0→0→0 | — |
| lysophosphatidylcholine 15:2 | CHEBI:131590 | 0 | — | 0→0→0 | — |
| phosphatidylcholine (16:0/20:5) | CHEBI:132327 | 0 | — | 0→0→0 | — |
| 6-hydroxy-5alpha-cholestanol | CHEBI:132328 | 0 | — | 0→0→0 | — |
| choline | CHEBI:15354 | 1 | exact | 19→19→19 | choline (CHEBI:15354, q=1) |
| acetylsalicylic acid | CHEBI:15365 | 0 | proton | 0→10→10 | acetylsalicylate (CHEBI:13719, q=-1) |
| L-leucine | CHEBI:15603 | 0 | proton | 0→13→13 | L-leucine zwitterion (CHEBI:57427, q=0) |
| hexadecanoic acid | CHEBI:15756 | 0 | proton | 0→27→27 | hexadecanoate (CHEBI:7896, q=-1) |
| arachidonic acid | CHEBI:15843 | 0 | proton | 0→24→24 | arachidonate (CHEBI:32395, q=-1) |
| cholesterol | CHEBI:16113 | 0 | exact | 18→18→18 | cholesterol (CHEBI:16113, q=0) |
| (R)-carnitine | CHEBI:16347 | 0 | exact | 9→11→11 | (R)-carnitine (CHEBI:16347, q=0) |
| indole-3-acetic acid | CHEBI:16411 | 0 | proton | 0→9→9 | indole-3-acetate (CHEBI:30854, q=-1) |
| creatinine | CHEBI:16737 | 0 | exact | 2→2→2 | creatinine (CHEBI:16737, q=0) |
| chenodeoxycholic acid | CHEBI:16755 | 0 | proton | 0→7→7 | chenodeoxycholate (CHEBI:36234, q=-1) |
| corticosterone | CHEBI:16827 | 0 | exact | 7→7→7 | corticosterone (CHEBI:16827, q=0) |
| L-tryptophan | CHEBI:16828 | 0 | proton | 0→30→30 | L-tryptophan zwitterion (CHEBI:57912, q=0) |
| salicylic acid | CHEBI:16914 | 0 | proton | 0→10→10 | salicylate (CHEBI:30762, q=-1) |
| creatine | CHEBI:16919 | 0 | proton | 0→5→5 | creatine zwitterion (CHEBI:57947, q=0) |
| bilirubin IXalpha | CHEBI:16990 | 0 | proton | 0→5→5 | bilirubin(2-) (CHEBI:57977, q=-2) |
| L-proline | CHEBI:17203 | 0 | proton | 0→9→9 | L-proline zwitterion (CHEBI:60039, q=0) |
| L-phenylalanine | CHEBI:17295 | 0 | proton | 0→26→26 | L-phenylalanine zwitterion (CHEBI:58095, q=0) |
| 2-oxohexanoic acid | CHEBI:17308 | 0 | proton | 0→13→13 | 2-oxohexanoate (CHEBI:35177, q=-1) |
| linoleic acid | CHEBI:17351 | 0 | proton | 0→13→13 | linoleate (CHEBI:30245, q=-1) |
| cortisol | CHEBI:17650 | 0 | exact | 8→8→8 | cortisol (CHEBI:17650, q=0) |
| glycocholic acid | CHEBI:17687 | 0 | proton | 0→24→24 | glycocholate (CHEBI:29746, q=-1) |
| glycine betaine | CHEBI:17750 | 0 | exact | 7→7→7 | glycine betaine (CHEBI:17750, q=0) |
| 7,9-dihydro-1H-purine-2,6,8(3H)-trione | CHEBI:17775 | 0 | exact | 7→7→7 | 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775, q=0) |
| L-tyrosine | CHEBI:17895 | 0 | proton | 0→26→26 | L-tyrosine zwitterion (CHEBI:58315, q=0) |
| N-benzoylglycine | CHEBI:18089 | 0 | proton | 0→2→2 | N-benzoylglycinate (CHEBI:606565, q=-1) |
| O-octanoyl-L-carnitine | CHEBI:18102 | 0 | exact | 1→1→1 | O-octanoyl-L-carnitine (CHEBI:18102, q=0) |
| N-methylnicotinate | CHEBI:18123 | 0 | exact | 1→6→6 | N-methylnicotinate (CHEBI:18123, q=0) |
| gamma-tocopherol | CHEBI:18185 | 0 | exact | 2→2→2 | gamma-tocopherol (CHEBI:18185, q=0) |
| ornithine | CHEBI:18257 | 0 | proton | 0→5→5 | valerate (CHEBI:31011, q=-1) |
| L-norleucine | CHEBI:18347 | 0 | proton | 0→12→12 | L-2-aminohexanoic acid zwitterion (CHEBI:58455, q=0) |
| 2-(4-hydroxyphenyl)ethanol | CHEBI:1879 | 0 | exact | 0→0→0 | 2-(4-hydroxyphenyl)ethanol (CHEBI:1879, q=0) |
| alpha-tocopherol | CHEBI:22470 | 0 | struct | 0→0→2 | (R,R,R)-alpha-tocopherol (CHEBI:18145, q=0) |
| 3-(indol-3-yl)lactic acid | CHEBI:24813 | 0 | proton | 0→35→35 | 3-(indol-3-yl)lactate (CHEBI:17282, q=-1) |
| 1,7-dimethylxanthine | CHEBI:25858 | 0 | exact | 1→1→1 | 1,7-dimethylxanthine (CHEBI:25858, q=0) |
| alpha-linolenic acid | CHEBI:27432 | 0 | proton | 0→5→5 | alpha-linolenate (CHEBI:32387, q=-1) |
| glycodeoxycholic acid | CHEBI:27471 | 0 | proton | 0→4→4 | glycodeoxycholate (CHEBI:82982, q=-1) |
| prostaglandin J2 | CHEBI:27485 | 0 | proton | 0→4→4 | prostaglandin J2(1-) (CHEBI:133396, q=-1) |
| caffeine | CHEBI:27732 | 0 | exact | 2→2→2 | caffeine (CHEBI:27732, q=0) |
| 11beta-hydroxyandrost-4-ene-3,17-dione | CHEBI:27967 | 0 | exact | 3→3→3 | 11beta-hydroxyandrost-4-ene-3,17-dione (CHEBI:27967, q=0) |
| theophylline | CHEBI:28177 | 0 | exact | 0→0→0 | theophylline (CHEBI:28177, q=0) |
| epsilon-caprolactam | CHEBI:28579 | 0 | — | 0→0→0 | — |
| 1-O-oleoyl-sn-glycero-3-phosphocholine | CHEBI:28610 | 0 | exact | 2→2→2 | 1-O-oleoyl-sn-glycero-3-phosphocholine (CHEBI:28610, q=0) |
| palmitoleic acid | CHEBI:28716 | 0 | proton | 0→7→7 | palmitoleate (CHEBI:32372, q=-1) |
| O-decanoyl-L-carnitine | CHEBI:28717 | 0 | exact | 0→0→0 | O-decanoyl-L-carnitine (CHEBI:28717, q=0) |
| piperine | CHEBI:28821 | 0 | exact | 1→1→1 | piperine (CHEBI:28821, q=0) |
| deoxycholic acid | CHEBI:28834 | 0 | proton | 0→4→4 | deoxycholate (CHEBI:23614, q=-1) |
| octadecanoic acid | CHEBI:28842 | 0 | proton | 0→16→16 | octadecanoate (CHEBI:25629, q=-1) |
| tetradecanoic acid | CHEBI:28875 | 0 | proton | 0→12→12 | tetradecanoate (CHEBI:30807, q=-1) |
| theobromine | CHEBI:28946 | 0 | exact | 1→1→1 | theobromine (CHEBI:28946, q=0) |
| dodecanoic acid | CHEBI:30805 | 0 | proton | 0→13→13 | dodecanoate (CHEBI:18262, q=-1) |
| heptadecanoic acid | CHEBI:32365 | 0 | proton | 0→1→1 | margarate (CHEBI:32366, q=-1) |
| L-proline betaine | CHEBI:35280 | 0 | exact | 1→10→10 | L-proline betaine (CHEBI:35280, q=0) |
| docosahexaenoic acid | CHEBI:36005 | 0 | struct | 0→0→5 | (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016, q=-1) |
| octadec-9-enoic acid | CHEBI:36021 | 0 | struct | 0→0→22 | elaidate (CHEBI:30825, q=-1) |
| vaccenic acid | CHEBI:36023 | 0 | struct | 0→0→2 | cis-vaccenate(1-) (CHEBI:30827, q=-1) |
| urobilin | CHEBI:36378 | 0 | — | 0→0→0 | — |
| 1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine | CHEBI:42027 | 0 | exact | 2→2→2 | 1,2-di-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:42027, q=0) |
| flavone | CHEBI:42491 | 0 | — | 0→0→0 | — |
| pentadecanoic acid | CHEBI:42504 | 0 | proton | 0→1→1 | pentadecanoate (CHEBI:78795, q=-1) |
| D-Urobilinogen | CHEBI:4260 | 0 | — | 0→0→0 | — |
| 3-(1H-indol-3-yl)propanoic acid | CHEBI:43580 | 0 | proton | 0→11→11 | 3-(1H-indol-3-yl)propanoate (CHEBI:82916, q=-1) |
| paracetamol | CHEBI:46195 | 0 | exact | 0→0→0 | paracetamol (CHEBI:46195, q=0) |
| dodecanedioic acid | CHEBI:4676 | 0 | proton | 0→2→2 | dodecane (CHEBI:28817, q=0) |
| 2-aminooctadec-4-ene-1,3-diol | CHEBI:46964 | 0 | struct | 0→0→6 | sphingosine(1+) (CHEBI:57756, q=1) |
| 3-chlorobenzoic acid | CHEBI:49410 | 0 | proton | 0→11→11 | benzoate (CHEBI:16150, q=-1) |
| treprostinil | CHEBI:50861 | 0 | — | 0→0→0 | — |
| hyodeoxycholic acid | CHEBI:52023 | 0 | proton | 0→18→18 | hyodeoxycholate (CHEBI:58875, q=-1) |
| O-acetyl-L-carnitine | CHEBI:57589 | 0 | exact | 1→1→1 | O-acetyl-L-carnitine (CHEBI:57589, q=0) |
| 7-ketocholesterol | CHEBI:64294 | 0 | exact | 2→2→2 | 7-ketocholesterol (CHEBI:64294, q=0) |
| phosphatidylcholine 34:4 | CHEBI:64423 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 34:3 | CHEBI:64424 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 40:6 | CHEBI:64431 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 38:3 | CHEBI:64446 | 0 | — | 0→0→0 | — |
| lysophosphatidylcholine 20:3 | CHEBI:64481 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 38:7 | CHEBI:64498 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 36:5 | CHEBI:64504 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 34:2 | CHEBI:64516 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 36:3 | CHEBI:64523 | 0 | struct | 0→0→1 | 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:74670, q=0) |
| phosphatidylcholine 40:5 | CHEBI:64524 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 38:5 | CHEBI:64525 | 0 | struct | 0→0→1 | 1-oleoyl-2-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:74671, q=0) |
| phosphatidylcholine 38:4 | CHEBI:64526 | 0 | struct | 0→0→4 | 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:74965, q=0) |
| lysophosphatidylcholine 18:3 | CHEBI:64565 | 0 | struct | 0→0→0 | 1-alpha-linolenoyl-sn-glycero-3-phosphocholine (CHEBI:133456, q=0) |
| lysophosphatidylcholine 18:1 | CHEBI:64566 | 0 | struct | 0→0→0 | 1-O-(8-hydroxyoleoyl)-sn-glycero-3-phosphocholine (CHEBI:132285, q=0) |
| lysophosphatidylethanolamine 20:4 | CHEBI:64569 | 0 | — | 0→0→0 | — |
| lysophosphatidylethanolamine 18:1 | CHEBI:64575 | 0 | struct | 0→0→0 | 2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:76088, q=0) |
| lysophosphatidylethanolamine 18:0 | CHEBI:64576 | 0 | — | 0→0→0 | — |
| sphingomyelin 32:1 | CHEBI:64586 | 0 | — | 0→0→0 | — |
| sphingomyelin 34:2 | CHEBI:64587 | 0 | — | 0→0→0 | — |
| lysophosphatidylcholine O-18:1 | CHEBI:64591 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 28:2 | CHEBI:65292 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 28:1 | CHEBI:65293 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 30:2 | CHEBI:65301 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 30:1 | CHEBI:65302 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 32:1 | CHEBI:66849 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 34:5 | CHEBI:66854 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 34:0 | CHEBI:66855 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 36:6 | CHEBI:66856 | 0 | struct | 0→0→1 | 1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86161, q=0) |
| phosphatidylcholine 36:1 | CHEBI:66857 | 0 | struct | 0→0→0 | 1-oleoyl-2-stearoyl-sn-glycero-3-phosphocholine (CHEBI:76073, q=0) |
| phosphatidylcholine 38:2 | CHEBI:66859 | 0 | — | 0→0→0 | — |
| lysophosphatidylcholine 20:2 | CHEBI:67056 | 0 | — | 0→0→0 | — |
| lysophosphatidylcholine 20:1 | CHEBI:67057 | 0 | — | 0→0→0 | — |
| gamma-Glu-Leu | CHEBI:68433 | 0 | — | 0→0→0 | — |
| 1,3,7-trimethyluric acid | CHEBI:691622 | 0 | exact | 2→2→2 | 1,3,7-trimethyluric acid (CHEBI:691622, q=0) |
| phosphatidylethanolamine 36:1 zwitterion | CHEBI:71727 | 0 | — | 0→0→0 | — |
| phosphatidylethanolamine 38:2 zwitterion | CHEBI:71735 | 0 | — | 0→0→0 | — |
| phosphatidylethanolamine 38:4 zwitterion | CHEBI:71737 | 0 | struct | 0→0→1 | 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78268, q=0) |
| phosphatidylethanolamine 40:5 zwitterion | CHEBI:71745 | 0 | — | 0→0→0 | — |
| sphingomyelin 30:1 | CHEBI:72505 | 0 | struct | 0→0→0 | N-lauroylsphingosine-1-phosphocholine (CHEBI:137334, q=0) |
| sphingomyelin 32:2 | CHEBI:72510 | 0 | — | 0→0→0 | — |
| sphingomyelin 40:2 | CHEBI:72529 | 0 | — | 0→0→0 | — |
| sphingomyelin 42:3 | CHEBI:72535 | 0 | — | 0→0→0 | — |
| Phe-Phe | CHEBI:72723 | 0 | struct | 0→0→0 | Phe-Phe zwitterion (CHEBI:191205, q=0) |
| 1-hexadecanoyl-sn-glycero-3-phosphocholine | CHEBI:72998 | 0 | exact | 3→3→3 | 1-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72998, q=0) |
| 1,2-dihexadecanoyl-sn-glycero-3-phosphocholine | CHEBI:72999 | 0 | exact | 5→30→30 | 1,2-dihexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72999, q=0) |
| O-dodecanoylcarnitine | CHEBI:73054 | 0 | struct | 0→0→0 | O-lauroyl-L-carnitine (CHEBI:77086, q=0) |
| (5Z)-tetradecenoylcarnitine | CHEBI:73060 | 0 | — | 0→0→0 | — |
| O-palmitoylcarnitine | CHEBI:73067 | 0 | struct | 0→0→1 | O-palmitoyl-L-carnitine (CHEBI:17490, q=0) |
| O-linoleoylcarnitine | CHEBI:73072 | 0 | — | 0→0→0 | — |
| 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine | CHEBI:73134 | 0 | struct | 0→0→1 | 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:73004, q=0) |
| Asp-Phe | CHEBI:73830 | 0 | — | 0→0→0 | — |
| 1-stearoyl-sn-glycero-3-phosphocholine | CHEBI:73858 | 0 | exact | 2→2→2 | 1-stearoyl-sn-glycero-3-phosphocholine (CHEBI:73858, q=0) |
| lysophosphatidylcholine 22:5 | CHEBI:74349 | 0 | — | 0→0→0 | — |
| 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine | CHEBI:74667 | 0 | exact | 3→3→3 | 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:74667, q=0) |
| 1,2-dioleoyl-sn-glycero-3-phosphocholine | CHEBI:74669 | 0 | exact | 5→26→26 | 1,2-dioleoyl-sn-glycero-3-phosphocholine (CHEBI:74669, q=0) |
| 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | CHEBI:74963 | 0 | exact | 3→3→3 | 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine (CHEBI:74963, q=0) |
| 1-icosanoyl-sn-glycero-3-phosphocholine | CHEBI:74968 | 0 | exact | 1→1→1 | 1-icosanoyl-sn-glycero-3-phosphocholine (CHEBI:74968, q=0) |
| 2-aminooctanoic acid | CHEBI:75145 | 0 | — | 0→0→0 | — |
| 1-oleoyl-sn-glycero-3-phosphoethanolamine | CHEBI:75168 | 0 | struct | 0→0→1 | 1-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:74971, q=0) |
| 1-O-octadecyl-sn-glycero-3-phosphocholine | CHEBI:75216 | 0 | exact | 3→3→3 | 1-O-octadecyl-sn-glycero-3-phosphocholine (CHEBI:75216, q=0) |
| methyl arachidonate | CHEBI:78033 | 0 | exact | 1→1→1 | methyl arachidonate (CHEBI:78033, q=0) |
| N-hexadecanoylsphingosine-1-phosphocholine | CHEBI:78646 | 0 | exact | 0→0→0 | N-hexadecanoylsphingosine-1-phosphocholine (CHEBI:78646, q=0) |
| 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine | CHEBI:79110 | 0 | struct | 0→0→1 | 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78268, q=0) |
| pantothenic acid | CHEBI:7916 | 0 | struct | 0→0→4 | (R)-pantothenate (CHEBI:29032, q=-1) |
| beta-muricholic acid | CHEBI:81298 | 0 | proton | 0→0→0 | beta-muricholate (CHEBI:134119, q=-1) |
| 1-stearoyl-sn-glycero-3-phosphoethanolamine | CHEBI:83047 | 0 | struct | 0→0→1 | 1-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:75036, q=0) |
| N-stearoylsphingosine-1-phosphocholine | CHEBI:83358 | 0 | exact | 1→1→1 | N-stearoylsphingosine-1-phosphocholine (CHEBI:83358, q=0) |
| 1,2-dipalmitoleoyl-sn-glycero-3-phosphocholine | CHEBI:83717 | 0 | exact | 1→1→1 | 1,2-dipalmitoleoyl-sn-glycero-3-phosphocholine (CHEBI:83717, q=0) |
| 2,6-dimethylheptanoyl carnitine | CHEBI:84095 | 0 | struct | 0→0→0 | (R)-2,6-dimethylheptanoylcarnitine (CHEBI:84843, q=0) |
| N-oleoylsphingosine-1-phosphocholine | CHEBI:84487 | 0 | — | 0→0→0 | — |
| ethyl arachidonate | CHEBI:84873 | 0 | — | 0→0→0 | — |
| propranolol | CHEBI:8499 | 0 | — | 0→0→0 | — |
| gamma-caprolactone | CHEBI:85235 | 0 | — | 0→0→0 | — |
| 4-hydroxy-3-methylbenzoic acid | CHEBI:85239 | 0 | — | 0→0→0 | — |
| geranyl acetoacetate | CHEBI:85255 | 0 | — | 0→0→0 | — |
| sphingomyelin 41:2 | CHEBI:85762 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 35:2 | CHEBI:85766 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 37:5 | CHEBI:85767 | 0 | — | 0→0→0 | — |
| (9E)-10-nitrooctadecenoic acid | CHEBI:86285 | 0 | — | 0→0→0 | — |
| (9E)-9-nitrooctadecenoic acid | CHEBI:86329 | 0 | — | 0→0→0 | — |
| 1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine | CHEBI:86330 | 0 | — | 0→0→0 | — |
| 1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol | CHEBI:86337 | 0 | — | 0→0→0 | — |
| 1-pentadecanoyl-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine | CHEBI:86344 | 0 | — | 0→0→0 | — |
| 1-[(11Z)-octadecenoyl]-2-hexadecanoyl-sn-glycerol | CHEBI:86346 | 0 | — | 0→0→0 | — |
| 3-pyridylacetic acid | CHEBI:86390 | 0 | — | 0→0→0 | — |
| monoacylglycerol 20:5 | CHEBI:86397 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 33:1 | CHEBI:86472 | 0 | — | 0→0→0 | — |
| barogenin | CHEBI:86509 | 0 | — | 0→0→0 | — |
| ceramide phosphoethanolamine (33:1) | CHEBI:86515 | 0 | — | 0→0→0 | — |
| ceramide phosphoethanolamine (34:1) | CHEBI:86517 | 0 | — | 0→0→0 | — |
| ceramide phosphoethanolamine (35:1) | CHEBI:86519 | 0 | — | 0→0→0 | — |
| ceramide phosphoethanolamine (35:2) | CHEBI:86523 | 0 | — | 0→0→0 | — |
| ceramide phosphoethanolamine (37:2) | CHEBI:86527 | 0 | — | 0→0→0 | — |
| ceramide phosphoethanolamine (38:2) | CHEBI:86968 | 0 | — | 0→0→0 | — |
| monoacylglycerol 14:0 | CHEBI:87249 | 0 | — | 0→0→0 | — |
| monoacylglycerol 16:0 | CHEBI:87251 | 0 | struct | 0→0→3 | 1-hexadecanoyl-sn-glycerol (CHEBI:75542, q=0) |
| monoacylglycerol 16:1 | CHEBI:87253 | 0 | — | 0→0→0 | — |
| monoacylglycerol 18:0 | CHEBI:87255 | 0 | struct | 0→0→2 | 1-monostearoylglycerol (CHEBI:75555, q=0) |
| monoacylglycerol 18:1 | CHEBI:87256 | 0 | struct | 0→0→4 | 1-oleoyl-sn-glycerol (CHEBI:75757, q=0) |
| monoacylglycerol 18:2 | CHEBI:87257 | 0 | struct | 0→0→0 | 1-linoleoyl-sn-glycerol (CHEBI:75561, q=0) |
| sodium glycochenodeoxycholate | CHEBI:87818 | 0 | — | 0→0→0 | — |
| 17-phenyl-18,19,20-trinor-prostaglandin E2 | CHEBI:87820 | 0 | — | 0→0→0 | — |
| 17-phenyl-18,19,20-trinor-prostaglandin D2 | CHEBI:87821 | 0 | — | 0→0→0 | — |
| 1-[(1Z)-octadec-1-enyl]-sn-glycero-3-phosphoethanolamine | CHEBI:87823 | 0 | — | 0→0→0 | — |
| LysoPC P-18:0/0:0 | CHEBI:88779 | 0 | — | 0→0→0 | — |
| o-tyrosine | CHEBI:89461 | 0 | — | 0→0→0 | — |
| lysophosphatidylethanolamine 16:0 | CHEBI:90452 | 0 | — | 0→0→0 | — |
| biliverdin hydrochloride | CHEBI:91027 | 0 | — | 0→0→0 | — |
| sodium dehydroepiandrosterone sulfate | CHEBI:91028 | 0 | — | 0→0→0 | — |
| methyl icosapentaenoate | CHEBI:91031 | 0 | — | 0→0→0 | — |
| 1-octadecylglycero-3-phosphocholine | CHEBI:91144 | 0 | — | 0→0→0 | — |
| N-[(15Z)-tetracosenoyl]sphinganine-1-phosphocholine | CHEBI:91146 | 0 | — | 0→0→0 | — |
| lysophosphatidylethanolamine 18:2 | CHEBI:91296 | 0 | struct | 0→0→0 | 1-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:133732, q=0) |
| lysophosphatidylcholine(0:0/16:0) | CHEBI:91297 | 0 | struct | 0→0→2 | 2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:76078, q=0) |
| lysophosphatidylcholine(0:0/16:1) | CHEBI:91298 | 0 | — | 0→0→0 | — |
| lysophosphatidylcholine(0:0/18:0) | CHEBI:91299 | 0 | struct | 0→0→0 | 2-stearoyl-sn-glycero-3-phosphocholine (CHEBI:76076, q=0) |
| lysophosphatidylcholine(0:0/18:2) | CHEBI:91302 | 0 | struct | 0→0→1 | 2-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:76084, q=0) |
| lysophosphatidylcholine(0:0/20:4) | CHEBI:91303 | 0 | struct | 0→0→2 | 2-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:76079, q=0) |
| lysophosphatidylcholine(0:0/20:5) | CHEBI:91304 | 0 | — | 0→0→0 | — |
| lysophosphatidylcholine(16:1/0:0) | CHEBI:91305 | 0 | — | 0→0→0 | — |
| lysophosphatidylcholine(18:2/0:0) | CHEBI:91309 | 0 | struct | 0→0→1 | 1-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:28733, q=0) |
| lysophosphatidylcholine(20:4/0:0) | CHEBI:91310 | 0 | struct | 0→0→0 | 1-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:74344, q=0) |
| 1-icosapentaenoyl-sn-glycero-3-phosphocholine | CHEBI:91311 | 0 | — | 0→0→0 | — |
| lysophosphatidylcholine 22:4 | CHEBI:91312 | 0 | — | 0→0→0 | — |
| (R)-oleoylcarnitine hydrochloride | CHEBI:91318 | 0 | — | 0→0→0 | — |
| phosphatidylcholine 35:4 | CHEBI:91322 | 0 | — | 0→0→0 | — |
Recovered by structure (skeleton) normalization
Generic / stereochemistry mismatches the protonation tier could not fix,
recovered by InChIKey-skeleton expansion:
- phosphatidylethanolamine 37:5 zwitterion (CHEBI:131584) → 1-(10Z-heptadecenoyl)-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:149769, q=0)
- alpha-tocopherol (CHEBI:22470) → (R,R,R)-alpha-tocopherol (CHEBI:18145, q=0)
- docosahexaenoic acid (CHEBI:36005) → (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016, q=-1)
- octadec-9-enoic acid (CHEBI:36021) → elaidate (CHEBI:30825, q=-1)
- vaccenic acid (CHEBI:36023) → cis-vaccenate(1-) (CHEBI:30827, q=-1)
- 2-aminooctadec-4-ene-1,3-diol (CHEBI:46964) → sphingosine(1+) (CHEBI:57756, q=1)
- phosphatidylcholine 36:3 (CHEBI:64523) → 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:74670, q=0)
- phosphatidylcholine 38:5 (CHEBI:64525) → 1-oleoyl-2-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:74671, q=0)
- phosphatidylcholine 38:4 (CHEBI:64526) → 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:74965, q=0)
- lysophosphatidylcholine 18:3 (CHEBI:64565) → 1-alpha-linolenoyl-sn-glycero-3-phosphocholine (CHEBI:133456, q=0)
- lysophosphatidylcholine 18:1 (CHEBI:64566) → 1-O-(8-hydroxyoleoyl)-sn-glycero-3-phosphocholine (CHEBI:132285, q=0)
- lysophosphatidylethanolamine 18:1 (CHEBI:64575) → 2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:76088, q=0)
- phosphatidylcholine 36:6 (CHEBI:66856) → 1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86161, q=0)
- phosphatidylcholine 36:1 (CHEBI:66857) → 1-oleoyl-2-stearoyl-sn-glycero-3-phosphocholine (CHEBI:76073, q=0)
- phosphatidylethanolamine 38:4 zwitterion (CHEBI:71737) → 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78268, q=0)
- sphingomyelin 30:1 (CHEBI:72505) → N-lauroylsphingosine-1-phosphocholine (CHEBI:137334, q=0)
- Phe-Phe (CHEBI:72723) → Phe-Phe zwitterion (CHEBI:191205, q=0)
- O-dodecanoylcarnitine (CHEBI:73054) → O-lauroyl-L-carnitine (CHEBI:77086, q=0)
- O-palmitoylcarnitine (CHEBI:73067) → O-palmitoyl-L-carnitine (CHEBI:17490, q=0)
- 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:73134) → 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:73004, q=0)
- 1-oleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:75168) → 1-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:74971, q=0)
- 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine (CHEBI:79110) → 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78268, q=0)
- pantothenic acid (CHEBI:7916) → (R)-pantothenate (CHEBI:29032, q=-1)
- 1-stearoyl-sn-glycero-3-phosphoethanolamine (CHEBI:83047) → 1-stearoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:75036, q=0)
- 2,6-dimethylheptanoyl carnitine (CHEBI:84095) → (R)-2,6-dimethylheptanoylcarnitine (CHEBI:84843, q=0)
- monoacylglycerol 16:0 (CHEBI:87251) → 1-hexadecanoyl-sn-glycerol (CHEBI:75542, q=0)
- monoacylglycerol 18:0 (CHEBI:87255) → 1-monostearoylglycerol (CHEBI:75555, q=0)
- monoacylglycerol 18:1 (CHEBI:87256) → 1-oleoyl-sn-glycerol (CHEBI:75757, q=0)
- monoacylglycerol 18:2 (CHEBI:87257) → 1-linoleoyl-sn-glycerol (CHEBI:75561, q=0)
- lysophosphatidylethanolamine 18:2 (CHEBI:91296) → 1-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:133732, q=0)
- lysophosphatidylcholine(0:0/16:0) (CHEBI:91297) → 2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:76078, q=0)
- lysophosphatidylcholine(0:0/18:0) (CHEBI:91299) → 2-stearoyl-sn-glycero-3-phosphocholine (CHEBI:76076, q=0)
- lysophosphatidylcholine(0:0/18:2) (CHEBI:91302) → 2-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:76084, q=0)
- lysophosphatidylcholine(0:0/20:4) (CHEBI:91303) → 2-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:76079, q=0)
- lysophosphatidylcholine(18:2/0:0) (CHEBI:91309) → 1-linoleoyl-sn-glycero-3-phosphocholine (CHEBI:28733, q=0)
- lysophosphatidylcholine(20:4/0:0) (CHEBI:91310) → 1-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:74344, q=0)
Example GO molecular functions reached
- phosphatidylethanolamine 37:5 zwitterion (CHEBI:131584) → GO:0106262 1-acylglycerophosphoethanolamine O-acyltransferase activity
- acetylsalicylic acid (CHEBI:15365) → GO:0018485 salicylaldehyde dehydrogenase (NAD+) activity; GO:0018488 aryl-aldehyde oxidase activity; GO:0018658 salicylate 1-monooxygenase activity
- L-leucine (CHEBI:15603) → GO:0001716 L-amino-acid oxidase activity; GO:0003884 D-amino-acid oxidase activity; GO:0004046 aminoacylase activity
- hexadecanoic acid (CHEBI:15756) → GO:0004046 aminoacylase activity; GO:0004467 long-chain fatty acid-CoA ligase activity; GO:0004623 A2-type glycerophospholipase activity
- arachidonic acid (CHEBI:15843) → GO:0004046 aminoacylase activity; GO:0004051 arachidonate 5-lipoxygenase activity; GO:0004052 arachidonate 12(S)-lipoxygenase activity
- indole-3-acetic acid (CHEBI:16411) → GO:0004029 aldehyde dehydrogenase (NAD+) activity; GO:0043864 indoleacetamide hydrolase activity; GO:0047215 indole-3-acetate beta-glucosyltransferase activity
- chenodeoxycholic acid (CHEBI:16755) → GO:0004090 carbonyl reductase (NADPH) activity; GO:0008397 sterol 12-alpha-hydroxylase activity; GO:0015020 glucuronosyltransferase activity
- L-tryptophan (CHEBI:16828) → GO:0001716 L-amino-acid oxidase activity; GO:0003884 D-amino-acid oxidase activity; GO:0004046 aminoacylase activity
- salicylic acid (CHEBI:16914) → GO:0018485 salicylaldehyde dehydrogenase (NAD+) activity; GO:0018488 aryl-aldehyde oxidase activity; GO:0018658 salicylate 1-monooxygenase activity
- creatine (CHEBI:16919) → GO:0004111 creatine kinase activity; GO:0016980 creatinase activity; GO:0030731 guanidinoacetate N-methyltransferase activity
- bilirubin IXalpha (CHEBI:16990) → GO:0015020 glucuronosyltransferase activity; GO:0047278 bilirubin-glucuronoside glucuronosyltransferase activity; GO:0047705 bilirubin oxidase activity
- L-proline (CHEBI:17203) → GO:0004657 proline dehydrogenase activity; GO:0004735 pyrroline-5-carboxylate reductase activity; GO:0004827 proline-tRNA ligase activity
- L-phenylalanine (CHEBI:17295) → GO:0003884 D-amino-acid oxidase activity; GO:0004046 aminoacylase activity; GO:0004505 phenylalanine 4-monooxygenase activity
- 2-oxohexanoic acid (CHEBI:17308) → GO:0001716 L-amino-acid oxidase activity; GO:0004031 aldehyde oxidase activity; GO:0008970 glycerophospholipid phospholipase A1 activity
- linoleic acid (CHEBI:17351) → GO:0004467 long-chain fatty acid-CoA ligase activity; GO:0004623 A2-type glycerophospholipase activity; GO:0004806 triacylglycerol lipase activity
- glycocholic acid (CHEBI:17687) → GO:0003954 NADH dehydrogenase activity; GO:0004090 carbonyl reductase (NADPH) activity; GO:0008397 sterol 12-alpha-hydroxylase activity
- L-tyrosine (CHEBI:17895) → GO:0001716 L-amino-acid oxidase activity; GO:0003884 D-amino-acid oxidase activity; GO:0004046 aminoacylase activity
- N-benzoylglycine (CHEBI:18089) → GO:0047962 glycine N-benzoyltransferase activity; GO:0047980 hippurate hydrolase activity
- ornithine (CHEBI:18257) → GO:0031955 short-chain fatty acid-CoA ligase activity; GO:0033721 aldehyde dehydrogenase (NADP+) activity; GO:0050168 pentanamidase activity
- L-norleucine (CHEBI:18347) → GO:0001716 L-amino-acid oxidase activity; GO:0004031 aldehyde oxidase activity; GO:0008970 glycerophospholipid phospholipase A1 activity
- alpha-tocopherol (CHEBI:22470) → GO:0050342 tocopherol C-methyltransferase activity; GO:0052871 alpha-tocopherol omega-hydroxylase activity
- 3-(indol-3-yl)lactic acid (CHEBI:24813) → GO:0004029 aldehyde dehydrogenase (NAD+) activity; GO:0004031 aldehyde oxidase activity; GO:0004040 amidase activity
- alpha-linolenic acid (CHEBI:27432) → GO:0004467 long-chain fatty acid-CoA ligase activity; GO:0004806 triacylglycerol lipase activity; GO:0047372 monoacylglycerol lipase activity
- glycodeoxycholic acid (CHEBI:27471) → GO:0004090 carbonyl reductase (NADPH) activity; GO:0015020 glucuronosyltransferase activity; GO:0033881 bile-acid-CoA transferase activity
- prostaglandin J2 (CHEBI:27485) → GO:0004667 prostaglandin-D synthase activity; GO:0036131 prostaglandin D2 11-ketoreductase activity; GO:0047017 prostaglandin F synthase activity
- palmitoleic acid (CHEBI:28716) → GO:0004467 long-chain fatty acid-CoA ligase activity; GO:0004806 triacylglycerol lipase activity; GO:0052816 long-chain fatty acyl-CoA hydrolase activity
- deoxycholic acid (CHEBI:28834) → GO:0004090 carbonyl reductase (NADPH) activity; GO:0015020 glucuronosyltransferase activity; GO:0033881 bile-acid-CoA transferase activity
- octadecanoic acid (CHEBI:28842) → GO:0004046 aminoacylase activity; GO:0004467 long-chain fatty acid-CoA ligase activity; GO:0005324 long-chain fatty acid transmembrane transporter activity
- tetradecanoic acid (CHEBI:28875) → GO:0004467 long-chain fatty acid-CoA ligase activity; GO:0005324 long-chain fatty acid transmembrane transporter activity; GO:0008922 long-chain fatty acid [acyl-carrier-protein] ligase activity
- dodecanoic acid (CHEBI:30805) → GO:0004031 aldehyde oxidase activity; GO:0016297 fatty acyl-[ACP] hydrolase activity; GO:0017040 N-acylsphingosine amidohydrolase activity
- heptadecanoic acid (CHEBI:32365) → GO:0004467 long-chain fatty acid-CoA ligase activity
- docosahexaenoic acid (CHEBI:36005) → GO:0004046 aminoacylase activity; GO:0004467 long-chain fatty acid-CoA ligase activity; GO:0004806 triacylglycerol lipase activity
- octadec-9-enoic acid (CHEBI:36021) → GO:0004046 aminoacylase activity; GO:0004467 long-chain fatty acid-CoA ligase activity; GO:0004623 A2-type glycerophospholipase activity
- vaccenic acid (CHEBI:36023) → GO:0004467 long-chain fatty acid-CoA ligase activity; GO:0052816 long-chain fatty acyl-CoA hydrolase activity
- pentadecanoic acid (CHEBI:42504) → GO:0004467 long-chain fatty acid-CoA ligase activity
- 3-(1H-indol-3-yl)propanoic acid (CHEBI:43580) → GO:0004029 aldehyde dehydrogenase (NAD+) activity; GO:0004031 aldehyde oxidase activity; GO:0004040 amidase activity
- dodecanedioic acid (CHEBI:4676) → GO:0016289 acyl-CoA hydrolase activity; GO:0047851 dicarboxylate-CoA ligase activity
- 2-aminooctadec-4-ene-1,3-diol (CHEBI:46964) → GO:0008481 sphingosine kinase activity; GO:0017040 N-acylsphingosine amidohydrolase activity; GO:0042392 sphingosine-1-phosphate phosphatase activity
- 3-chlorobenzoic acid (CHEBI:49410) → GO:0018477 benzaldehyde dehydrogenase (NADP+) activity; GO:0018479 benzaldehyde dehydrogenase (NAD+) activity; GO:0018488 aryl-aldehyde oxidase activity
- hyodeoxycholic acid (CHEBI:52023) → GO:0003954 NADH dehydrogenase activity; GO:0008397 sterol 12-alpha-hydroxylase activity; GO:0008709 cholate 7-alpha-dehydrogenase (NAD+) activity
- phosphatidylcholine 36:3 (CHEBI:64523) → GO:0047184 1-acylglycerophosphocholine O-acyltransferase activity
- phosphatidylcholine 38:5 (CHEBI:64525) → GO:0047184 1-acylglycerophosphocholine O-acyltransferase activity
- phosphatidylcholine 38:4 (CHEBI:64526) → GO:0004142 diacylglycerol cholinephosphotransferase activity; GO:0004623 A2-type glycerophospholipase activity; GO:0047184 1-acylglycerophosphocholine O-acyltransferase activity
- phosphatidylcholine 36:6 (CHEBI:66856) → GO:0000773 phosphatidyl-N-methylethanolamine N-methyltransferase activity
- phosphatidylethanolamine 38:4 zwitterion (CHEBI:71737) → GO:0004307 ethanolaminephosphotransferase activity
- O-palmitoylcarnitine (CHEBI:73067) → GO:0004095 carnitine O-palmitoyltransferase activity
- 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:73134) → GO:0106262 1-acylglycerophosphoethanolamine O-acyltransferase activity
- 1-oleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:75168) → GO:0106262 1-acylglycerophosphoethanolamine O-acyltransferase activity
- 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine (CHEBI:79110) → GO:0004307 ethanolaminephosphotransferase activity
- pantothenic acid (CHEBI:7916) → GO:0004592 pantoate-beta-alanine ligase activity; GO:0004593 pantothenase activity; GO:0004594 pantothenate kinase activity
- 1-stearoyl-sn-glycero-3-phosphoethanolamine (CHEBI:83047) → GO:0106262 1-acylglycerophosphoethanolamine O-acyltransferase activity
- monoacylglycerol 16:0 (CHEBI:87251) → GO:0047620 acylglycerol kinase activity; GO:0052642 lysophosphatidic acid phosphatase activity; GO:0140324 lysophospholipase C activity
- monoacylglycerol 18:0 (CHEBI:87255) → GO:0047372 monoacylglycerol lipase activity; GO:0052642 lysophosphatidic acid phosphatase activity
- monoacylglycerol 18:1 (CHEBI:87256) → GO:0047372 monoacylglycerol lipase activity; GO:0047620 acylglycerol kinase activity; GO:0052642 lysophosphatidic acid phosphatase activity
- lysophosphatidylcholine(0:0/16:0) (CHEBI:91297) → GO:0008970 glycerophospholipid phospholipase A1 activity; GO:0047173 phosphatidylcholine-retinol O-acyltransferase activity
- lysophosphatidylcholine(0:0/18:2) (CHEBI:91302) → GO:0047190 2-acylglycerophosphocholine O-acyltransferase activity
- lysophosphatidylcholine(0:0/20:4) (CHEBI:91303) → GO:0008970 glycerophospholipid phospholipase A1 activity; GO:0047190 2-acylglycerophosphocholine O-acyltransferase activity
- lysophosphatidylcholine(18:2/0:0) (CHEBI:91309) → GO:0004623 A2-type glycerophospholipase activity
Residual misses (after both normalization tiers)
Resolved to ChEBI but matched no Rhea reaction even after protonation and
skeleton normalization — typically derivatives Rhea represents only in a
conjugated/acylated form, or compounds genuinely absent from Rhea.
- N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine (CHEBI:105799, family size 1)
- phosphatidylcholine 29:1 (CHEBI:131438, family size 1)
- phosphatidylcholine 42:7 (CHEBI:131440, family size 1)
- phosphatidylserine 18:0 (CHEBI:131443, family size 1)
- phosphatidylethanolamine 37:3 zwitterion (CHEBI:131581, family size 1)
- phosphatidylethanolamine 37:2 zwitterion (CHEBI:131583, family size 1)
- phosphatidylethanolamine 39:3 zwitterion (CHEBI:131585, family size 1)
- phosphatidylethanolamine 41:5 zwitterion (CHEBI:131586, family size 1)
- lysophosphatidylcholine 15:2 (CHEBI:131590, family size 1)
- phosphatidylcholine (16:0/20:5) (CHEBI:132327, family size 1)
- 6-hydroxy-5alpha-cholestanol (CHEBI:132328, family size 1)
- epsilon-caprolactam (CHEBI:28579, family size 1)
- urobilin (CHEBI:36378, family size 1)
- flavone (CHEBI:42491, family size 1)
- D-Urobilinogen (CHEBI:4260, family size 1)
- treprostinil (CHEBI:50861, family size 1)
- phosphatidylcholine 34:4 (CHEBI:64423, family size 1)
- phosphatidylcholine 34:3 (CHEBI:64424, family size 1)
- phosphatidylcholine 40:6 (CHEBI:64431, family size 1)
- phosphatidylcholine 38:3 (CHEBI:64446, family size 1)
- lysophosphatidylcholine 20:3 (CHEBI:64481, family size 1)
- phosphatidylcholine 38:7 (CHEBI:64498, family size 1)
- phosphatidylcholine 36:5 (CHEBI:64504, family size 1)
- phosphatidylcholine 34:2 (CHEBI:64516, family size 1)
- phosphatidylcholine 40:5 (CHEBI:64524, family size 1)
- lysophosphatidylethanolamine 20:4 (CHEBI:64569, family size 1)
- lysophosphatidylethanolamine 18:0 (CHEBI:64576, family size 1)
- sphingomyelin 32:1 (CHEBI:64586, family size 1)
- sphingomyelin 34:2 (CHEBI:64587, family size 1)
- lysophosphatidylcholine O-18:1 (CHEBI:64591, family size 1)
- phosphatidylcholine 28:2 (CHEBI:65292, family size 1)
- phosphatidylcholine 28:1 (CHEBI:65293, family size 1)
- phosphatidylcholine 30:2 (CHEBI:65301, family size 1)
- phosphatidylcholine 30:1 (CHEBI:65302, family size 1)
- phosphatidylcholine 32:1 (CHEBI:66849, family size 1)
- phosphatidylcholine 34:5 (CHEBI:66854, family size 1)
- phosphatidylcholine 34:0 (CHEBI:66855, family size 1)
- phosphatidylcholine 38:2 (CHEBI:66859, family size 1)
- lysophosphatidylcholine 20:2 (CHEBI:67056, family size 1)
- lysophosphatidylcholine 20:1 (CHEBI:67057, family size 1)
- gamma-Glu-Leu (CHEBI:68433, family size 10)
- phosphatidylethanolamine 36:1 zwitterion (CHEBI:71727, family size 1)
- phosphatidylethanolamine 38:2 zwitterion (CHEBI:71735, family size 1)
- phosphatidylethanolamine 40:5 zwitterion (CHEBI:71745, family size 1)
- sphingomyelin 32:2 (CHEBI:72510, family size 1)
- sphingomyelin 40:2 (CHEBI:72529, family size 1)
- sphingomyelin 42:3 (CHEBI:72535, family size 1)
- (5Z)-tetradecenoylcarnitine (CHEBI:73060, family size 1)
- O-linoleoylcarnitine (CHEBI:73072, family size 1)
- Asp-Phe (CHEBI:73830, family size 1)
- lysophosphatidylcholine 22:5 (CHEBI:74349, family size 1)
- 2-aminooctanoic acid (CHEBI:75145, family size 4)
- N-oleoylsphingosine-1-phosphocholine (CHEBI:84487, family size 1)
- ethyl arachidonate (CHEBI:84873, family size 1)
- propranolol (CHEBI:8499, family size 1)
- gamma-caprolactone (CHEBI:85235, family size 1)
- 4-hydroxy-3-methylbenzoic acid (CHEBI:85239, family size 1)
- geranyl acetoacetate (CHEBI:85255, family size 1)
- sphingomyelin 41:2 (CHEBI:85762, family size 1)
- phosphatidylcholine 35:2 (CHEBI:85766, family size 1)
- phosphatidylcholine 37:5 (CHEBI:85767, family size 1)
- (9E)-10-nitrooctadecenoic acid (CHEBI:86285, family size 1)
- (9E)-9-nitrooctadecenoic acid (CHEBI:86329, family size 1)
- 1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86330, family size 1)
- 1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol (CHEBI:86337, family size 1)
- 1-pentadecanoyl-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:86344, family size 1)
- 1-[(11Z)-octadecenoyl]-2-hexadecanoyl-sn-glycerol (CHEBI:86346, family size 1)
- 3-pyridylacetic acid (CHEBI:86390, family size 1)
- monoacylglycerol 20:5 (CHEBI:86397, family size 1)
- phosphatidylcholine 33:1 (CHEBI:86472, family size 1)
- barogenin (CHEBI:86509, family size 1)
- ceramide phosphoethanolamine (33:1) (CHEBI:86515, family size 1)
- ceramide phosphoethanolamine (34:1) (CHEBI:86517, family size 1)
- ceramide phosphoethanolamine (35:1) (CHEBI:86519, family size 1)
- ceramide phosphoethanolamine (35:2) (CHEBI:86523, family size 1)
- ceramide phosphoethanolamine (37:2) (CHEBI:86527, family size 1)
- ceramide phosphoethanolamine (38:2) (CHEBI:86968, family size 1)
- monoacylglycerol 14:0 (CHEBI:87249, family size 1)
- monoacylglycerol 16:1 (CHEBI:87253, family size 1)
- sodium glycochenodeoxycholate (CHEBI:87818, family size 1)
- 17-phenyl-18,19,20-trinor-prostaglandin E2 (CHEBI:87820, family size 1)
- 17-phenyl-18,19,20-trinor-prostaglandin D2 (CHEBI:87821, family size 1)
- 1-[(1Z)-octadec-1-enyl]-sn-glycero-3-phosphoethanolamine (CHEBI:87823, family size 1)
- LysoPC P-18:0/0:0 (CHEBI:88779, family size 1)
- o-tyrosine (CHEBI:89461, family size 1)
- lysophosphatidylethanolamine 16:0 (CHEBI:90452, family size 1)
- biliverdin hydrochloride (CHEBI:91027, family size 1)
- sodium dehydroepiandrosterone sulfate (CHEBI:91028, family size 1)
- methyl icosapentaenoate (CHEBI:91031, family size 1)
- 1-octadecylglycero-3-phosphocholine (CHEBI:91144, family size 1)
- N-[(15Z)-tetracosenoyl]sphinganine-1-phosphocholine (CHEBI:91146, family size 1)
- lysophosphatidylcholine(0:0/16:1) (CHEBI:91298, family size 1)
- lysophosphatidylcholine(0:0/20:5) (CHEBI:91304, family size 1)
- lysophosphatidylcholine(16:1/0:0) (CHEBI:91305, family size 1)
- 1-icosapentaenoyl-sn-glycero-3-phosphocholine (CHEBI:91311, family size 1)
- lysophosphatidylcholine 22:4 (CHEBI:91312, family size 1)
- (R)-oleoylcarnitine hydrochloride (CHEBI:91318, family size 1)
- phosphatidylcholine 35:4 (CHEBI:91322, family size 1)
Method / reproducibility
- ChEBI access + protonation traversal:
chebi.py(OLS4). - Rhea network + rhea2go:
rhea.py(Rhea REST, GO external2go). - Caches under
.cache/(gitignored); delete to force a fresh pull. - This is a coverage probe (does the bridge connect?), not yet a
statistical enrichment; GO-BP lift + ORA are the next step (see the
project page).