MetaboLights MTBLS404 → GO bridge coverage
Input: MetaboLights MTBLS404
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: 109 (resolved to ChEBI: 109)
- In a Rhea reaction — exact: 5/109 → +protonation: 60/109 → +structure: 71/109
- Reaching a GO MF term (rhea2go) — exact: 4 → +protonation: 57 → +structure: 65 (of 109)
- Recovered by protonation: 55; additionally by structure/skeleton: 11
Per-metabolite
Tier reached: exact < proton (protonation) < struct (skeleton) < — (miss).
| Metabolite | Seed ChEBI | q | Tier | GO MF (exact→proton→struct) | Rhea-matched form |
|---|---|---|---|---|---|
| N-isovaleryl-L-alanine | CHEBI:136818 | 0 | — | 0→0→0 | — |
| 9-Methylxanthine | CHEBI:137296 | 0 | — | 0→0→0 | — |
| Valerylglycine | CHEBI:137527 | 0 | — | 0→0→0 | — |
| taurine | CHEBI:15891 | 0 | proton | 0→10→10 | taurine zwitterion (CHEBI:507393, q=0) |
| FMNH2 | CHEBI:16048 | 0 | proton | 0→170→170 | FMNH2(2-) (CHEBI:57618, q=-2) |
| N-acylglycine | CHEBI:16180 | 0 | proton | 0→53→53 | N-acylglycinate (CHEBI:57670, q=-1) |
| N-acetyl-L-phenylalanine | CHEBI:16259 | 0 | proton | 0→26→26 | N-acetyl-L-phenylalaninate (CHEBI:57702, q=-1) |
| 4-hydroxymandelic acid | CHEBI:16388 | 0 | proton | 0→84→84 | 4-hydroxymandelate (CHEBI:32804, q=-1) |
| salicyl alcohol | CHEBI:16464 | 0 | exact | 2→2→2 | salicyl alcohol (CHEBI:16464, q=0) |
| chenodeoxycholic acid | CHEBI:16755 | 0 | proton | 0→7→7 | chenodeoxycholate (CHEBI:36234, q=-1) |
| L-threo-3-phenylserine | CHEBI:16795 | 0 | struct | 0→0→1 | L-threo-3-phenylserine zwitterion (CHEBI:57901, q=0) |
| dehydroepiandrosterone sulfate | CHEBI:16814 | 0 | proton | 0→6→6 | dehydroepiandrosterone (CHEBI:28689, q=0) |
| salicylic acid | CHEBI:16914 | 0 | proton | 0→10→10 | salicylate (CHEBI:30762, q=-1) |
| 3-hydroxybenzyl alcohol | CHEBI:17069 | 0 | exact | 2→2→2 | 3-hydroxybenzyl alcohol (CHEBI:17069, q=0) |
| 2,5-dihydroxybenzoic acid | CHEBI:17189 | 0 | proton | 0→15→15 | 2,5-dihydroxybenzoate (CHEBI:58044, q=-1) |
| porphobilinogen | CHEBI:17381 | 0 | proton | 0→2→2 | porphobilinogen(1-) (CHEBI:58126, q=-1) |
| 3-(4-hydroxyphenyl)lactic acid | CHEBI:17385 | 0 | proton | 0→34→34 | lactate (CHEBI:24996, q=-1) |
| 4-pyridoxic acid | CHEBI:17405 | 0 | proton | 0→4→4 | 4-pyridoxate (CHEBI:30959, q=-1) |
| 3-hydroxyphenylacetic acid | CHEBI:17445 | 0 | proton | 0→85→85 | 3-hydroxyphenylacetate (CHEBI:58149, q=-1) |
| (-)-quinic acid | CHEBI:17521 | 0 | proton | 0→6→6 | (-)-quinate (CHEBI:29751, q=-1) |
| 4-acetamidobutanoic acid | CHEBI:17645 | 0 | proton | 0→12→12 | 4-acetamidobutanoate (CHEBI:11951, q=-1) |
| glycocholic acid | CHEBI:17687 | 0 | proton | 0→24→24 | glycocholate (CHEBI:29746, q=-1) |
| (R)-mevalonic acid | CHEBI:17710 | 0 | proton | 0→5→5 | (R)-mevalonate (CHEBI:36464, q=-1) |
| N-acetyl-L-leucine | CHEBI:17786 | 0 | proton | 0→2→2 | N-acetyl-L-leucinate (CHEBI:58270, q=-1) |
| N(2)-phenylacetyl-L-glutamine | CHEBI:17884 | 0 | proton | 0→1→1 | N(2)-phenylacetyl-L-glutaminate (CHEBI:58310, q=-1) |
| fumaric acid | CHEBI:18012 | 0 | proton | 0→18→18 | fumarate(2-) (CHEBI:29806, q=-2) |
| N-benzoylglycine | CHEBI:18089 | 0 | proton | 0→2→2 | N-benzoylglycinate (CHEBI:606565, q=-1) |
| 4-hydroxyphenylacetic acid | CHEBI:18101 | 0 | proton | 0→89→89 | 4-hydroxyphenylacetate (CHEBI:48999, q=-1) |
| xanthosine | CHEBI:18107 | 0 | exact | 3→3→3 | xanthosine (CHEBI:18107, q=0) |
| 5-oxo-L-proline | CHEBI:18183 | 0 | proton | 0→14→14 | 5-oxo-L-prolinate (CHEBI:58402, q=-1) |
| kynurenic acid | CHEBI:18344 | 0 | proton | 0→3→3 | kynurenate (CHEBI:58454, q=-1) |
| N-acetyl-L-aspartic acid | CHEBI:21547 | 0 | proton | 0→40→40 | N-acetyl-L-aspartate(2-) (CHEBI:16953, q=-2) |
| aspartic acid | CHEBI:22660 | 0 | struct | 0→0→40 | L-aspartate(1-) (CHEBI:29991, q=-1) |
| deoxyhexose | CHEBI:23628 | ? | — | 0→0→0 | — |
| hydroxybenzyl alcohol | CHEBI:24679 | ? | struct | 0→0→0 | dihydropyriculariol (CHEBI:142637, q=0) |
| inosines | CHEBI:24844 | ? | struct | 0→0→7 | inosine (CHEBI:17596, q=0) |
| methylguanosine | CHEBI:25307 | ? | — | 0→0→0 | — |
| pentose | CHEBI:25901 | ? | — | 0→0→0 | — |
| threonic acid | CHEBI:26984 | 0 | struct | 0→0→1 | L-threonate (CHEBI:57561, q=-1) |
| (5-hydroxyindol-3-yl)acetic acid | CHEBI:27823 | 0 | proton | 0→1→1 | (5-hydroxyindol-3-yl)acetate (CHEBI:62622, q=-1) |
| tryptophan | CHEBI:27897 | 0 | struct | 0→0→30 | L-tryptophan zwitterion (CHEBI:57912, q=0) |
| phenyl hydrogen sulfate | CHEBI:27905 | 0 | proton | 0→5→5 | phenol (CHEBI:15882, q=0) |
| (2-hydroxyphenyl)acetic acid | CHEBI:28478 | 0 | proton | 0→89→89 | phenol (CHEBI:15882, q=0) |
| testosterone 17-glucosiduronic acid | CHEBI:28835 | 0 | proton | 0→11→11 | testosterone 17-O-(beta-D-glucuronide)(1-) (CHEBI:136639, q=-1) |
| beta-D-glucuronic acid | CHEBI:28860 | 0 | proton | 0→0→0 | beta-D-glucuronate (CHEBI:85313, q=-1) |
| benzoic acid | CHEBI:30746 | 0 | proton | 0→11→11 | benzoate (CHEBI:16150, q=-1) |
| 4-hydroxybenzoic acid | CHEBI:30763 | 0 | proton | 0→27→27 | 4-hydroxybenzoate (CHEBI:17879, q=-1) |
| citric acid | CHEBI:30769 | 0 | proton | 0→8→8 | citrate(3-) (CHEBI:16947, q=-3) |
| 2-oxoglutaric acid | CHEBI:30915 | 0 | proton | 0→152→152 | 2-oxoglutarate(2-) (CHEBI:16810, q=-2) |
| N-acetyl-L-2-aminoadipic acid | CHEBI:31885 | 0 | — | 0→0→0 | — |
| acetaminophen O-beta-D-glucosiduronic acid | CHEBI:32636 | 0 | proton | 0→0→0 | paracetamol (CHEBI:46195, q=0) |
| pyruvic acid | CHEBI:32816 | 0 | proton | 0→135→135 | pyruvate (CHEBI:15361, q=-1) |
| D-gluconic acid | CHEBI:33198 | 0 | proton | 0→6→6 | D-gluconate (CHEBI:18391, q=-1) |
| glyceric acid | CHEBI:33508 | 0 | proton | 0→11→11 | glycerate (CHEBI:33871, q=-1) |
| (2S)-2-isopropylmalic acid | CHEBI:35128 | 0 | proton | 0→2→2 | (2S)-2-isopropylmalate(2-) (CHEBI:1178, q=-2) |
| 3-methyl-2-oxovaleric acid | CHEBI:35932 | 0 | proton | 0→6→6 | 3-methyl-2-oxovalerate (CHEBI:28654, q=-1) |
| 3,4-dihydroxybenzoic acid | CHEBI:36062 | 0 | proton | 0→26→26 | 3,4-dihydroxybenzoate (CHEBI:36241, q=-1) |
| 2-aminoadipic acid | CHEBI:37024 | 0 | struct | 0→0→4 | L-2-aminoadipate(1-) (CHEBI:58672, q=-1) |
| erythronic acid | CHEBI:37654 | 0 | struct | 0→0→0 | D-erythronate (CHEBI:136591, q=-1) |
| 3,5-dihydroxybenzoic acid | CHEBI:39912 | 0 | — | 0→0→0 | — |
| 4-methoxybenzoic acid | CHEBI:40813 | 0 | proton | 0→12→12 | 4-methoxybenzoate (CHEBI:16639, q=-1) |
| sebacic acid | CHEBI:41865 | 0 | proton | 0→2→2 | decane (CHEBI:41808, q=0) |
| (3,4-dihydroxyphenyl)acetic acid | CHEBI:41941 | 0 | proton | 0→91→91 | (3,4-dihydroxyphenyl)acetate (CHEBI:17612, q=-1) |
| nonanedioic acid | CHEBI:48131 | 0 | proton | 0→0→0 | azelaate(2-) (CHEBI:78208, q=-2) |
| 4-methyl-2-oxopentanoic acid | CHEBI:48430 | 0 | proton | 0→16→16 | 4-methyl-2-oxopentanoate (CHEBI:17865, q=-1) |
| pyrroledicarboxylic acid | CHEBI:59197 | ? | struct | 0→0→0 | chromopyrrolate(2-) (CHEBI:133898, q=-2) |
| N-hexanoylglycine | CHEBI:64390 | 0 | — | 0→0→0 | — |
| malic acid | CHEBI:6650 | 0 | proton | 0→93→93 | malate(2-) (CHEBI:15595, q=-2) |
| 2-(2-methoxyethoxy)propanoic acid | CHEBI:67255 | 0 | — | 0→0→0 | — |
| gamma-Glu-Leu | CHEBI:68433 | 0 | — | 0→0→0 | — |
| gamma-Glu-Ile | CHEBI:68434 | 0 | — | 0→0→0 | — |
| 1-methyluric acid | CHEBI:68441 | 0 | proton | 0→7→7 | 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775, q=0) |
| 1-methyl-7H-xanthine | CHEBI:68444 | 0 | — | 0→0→0 | — |
| 1,3-dimethyluric acid | CHEBI:68447 | 0 | proton | 0→7→7 | 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775, q=0) |
| 1,7-dimethyluric acid | CHEBI:68449 | 0 | proton | 0→7→7 | 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775, q=0) |
| o-methylhippuric acid | CHEBI:68455 | 0 | — | 0→0→0 | — |
| 2,2-dimethylglutaric acid | CHEBI:68459 | 0 | — | 0→0→0 | — |
| 3-indole carboxylic acid glucuronide | CHEBI:68486 | 0 | — | 0→0→0 | — |
| 3-methoxysalicylic acid | CHEBI:68496 | 0 | — | 0→0→0 | — |
| 3-methylcrotonyl glycine | CHEBI:68499 | 0 | — | 0→0→0 | — |
| m-methylhippuric acid | CHEBI:68500 | 0 | — | 0→0→0 | — |
| 3,3-dimethylglutaric acid | CHEBI:68502 | 0 | — | 0→0→0 | — |
| pyrocatechol sulfate | CHEBI:68505 | 0 | proton | 0→15→15 | catechol (CHEBI:18135, q=0) |
| 3,7-dimethyluric acid | CHEBI:68531 | 0 | exact | 0→7→7 | 3,7-dimethyluric acid (CHEBI:68531, q=0) |
| p-methylhippuric acid | CHEBI:68552 | 0 | — | 0→0→0 | — |
| 5-sulfosalicylic acid | CHEBI:68555 | 0 | — | 0→0→0 | — |
| 5-aminosalicyluric acid | CHEBI:68589 | 0 | — | 0→0→0 | — |
| alpha-Asp-Leu | CHEBI:68596 | 0 | — | 0→0→0 | — |
| alpha-Asp-Ile | CHEBI:68599 | 0 | — | 0→0→0 | — |
| N-cinnamoylglycine | CHEBI:68616 | 0 | — | 0→0→0 | — |
| dehydroisoandrosterone 3-glucuronide | CHEBI:68834 | 0 | proton | 0→6→6 | dehydroepiandrosterone 3-O-(beta-D-glucuronide)(1-) (CHEBI:178105, q=-1) |
| Glu-Val | CHEBI:68846 | 0 | — | 0→0→0 | — |
| heptylmalonic acid | CHEBI:70747 | 0 | — | 0→0→0 | — |
| 3-hydroxysuberic acid | CHEBI:70766 | 0 | — | 0→0→0 | — |
| m-hydroxyhippuric acid | CHEBI:70824 | 0 | proton | 0→2→2 | N-benzoylglycinate (CHEBI:606565, q=-1) |
| methyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate | CHEBI:70831 | 0 | — | 0→0→0 | — |
| monoethyl phthalate | CHEBI:70973 | 0 | — | 0→0→0 | — |
| N-acetyltryptophan | CHEBI:70976 | 0 | — | 0→0→0 | — |
| N(4)-acetylcytidine | CHEBI:70989 | 0 | exact | 1→1→1 | N(4)-acetylcytidine (CHEBI:70989, q=0) |
| p-hydroxyhippuric acid | CHEBI:71018 | 0 | proton | 0→2→2 | N-benzoylglycinate (CHEBI:606565, q=-1) |
| 3,4,5,6-tetrahydrohippuric acid | CHEBI:71172 | 0 | — | 0→0→0 | — |
| N-nicotinoylglycine | CHEBI:7563 | 0 | — | 0→0→0 | — |
| pantothenic acid | CHEBI:7916 | 0 | struct | 0→0→4 | (R)-pantothenate (CHEBI:29032, q=-1) |
| N-acetylisoleucine | CHEBI:84056 | 0 | struct | 0→0→1 | N-acetyl-L-isoleucinate (CHEBI:133735, q=-1) |
| 2-(acetylamino)-4-methylphenyl acetate | CHEBI:84085 | 0 | — | 0→0→0 | — |
| 6-(2-hydroxyethoxy)-6-oxohexanoic acid | CHEBI:84086 | 0 | — | 0→0→0 | — |
| 6-(carboxymethoxy)hexanoic acid | CHEBI:84088 | 0 | — | 0→0→0 | — |
| Phe-Tyr-Asp | CHEBI:84102 | 0 | — | 0→0→0 | — |
| suberic acid | CHEBI:9300 | 0 | proton | 0→2→2 | suberate(2-) (CHEBI:76282, q=-2) |
Recovered by structure (skeleton) normalization
Generic / stereochemistry mismatches the protonation tier could not fix,
recovered by InChIKey-skeleton expansion:
- L-threo-3-phenylserine (CHEBI:16795) → L-threo-3-phenylserine zwitterion (CHEBI:57901, q=0)
- aspartic acid (CHEBI:22660) → L-aspartate(1-) (CHEBI:29991, q=-1)
- hydroxybenzyl alcohol (CHEBI:24679) → dihydropyriculariol (CHEBI:142637, q=0)
- inosines (CHEBI:24844) → inosine (CHEBI:17596, q=0)
- threonic acid (CHEBI:26984) → L-threonate (CHEBI:57561, q=-1)
- tryptophan (CHEBI:27897) → L-tryptophan zwitterion (CHEBI:57912, q=0)
- 2-aminoadipic acid (CHEBI:37024) → L-2-aminoadipate(1-) (CHEBI:58672, q=-1)
- erythronic acid (CHEBI:37654) → D-erythronate (CHEBI:136591, q=-1)
- pyrroledicarboxylic acid (CHEBI:59197) → chromopyrrolate(2-) (CHEBI:133898, q=-2)
- pantothenic acid (CHEBI:7916) → (R)-pantothenate (CHEBI:29032, q=-1)
- N-acetylisoleucine (CHEBI:84056) → N-acetyl-L-isoleucinate (CHEBI:133735, q=-1)
Example GO molecular functions reached
- taurine (CHEBI:15891) → GO:0000908 taurine dioxygenase activity; GO:0015411 ABC-type taurine transporter transporter activity; GO:0031299 taurine:pyruvate transaminase activity
- FMNH2 (CHEBI:16048) → GO:0004392 heme oxygenase (decyclizing) activity; GO:0004506 squalene monooxygenase activity; GO:0004508 steroid 17-alpha-monooxygenase activity
- N-acylglycine (CHEBI:16180) → GO:0003870 5-aminolevulinate synthase activity; GO:0004029 aldehyde dehydrogenase (NAD+) activity; GO:0004046 aminoacylase activity
- N-acetyl-L-phenylalanine (CHEBI:16259) → GO:0003884 D-amino-acid oxidase activity; GO:0004046 aminoacylase activity; GO:0004505 phenylalanine 4-monooxygenase activity
- 4-hydroxymandelic acid (CHEBI:16388) → GO:0000225 N-acetylglucosaminylphosphatidylinositol deacetylase activity; GO:0003847 1-alkyl-2-acetylglycerophosphocholine esterase activity; GO:0003961 O-acetylhomoserine aminocarboxypropyltransferase activity
- chenodeoxycholic acid (CHEBI:16755) → GO:0004090 carbonyl reductase (NADPH) activity; GO:0008397 sterol 12-alpha-hydroxylase activity; GO:0015020 glucuronosyltransferase activity
- L-threo-3-phenylserine (CHEBI:16795) → GO:0050179 phenylserine aldolase activity
- dehydroepiandrosterone sulfate (CHEBI:16814) → GO:0003854 3-beta-hydroxy-Delta5-steroid dehydrogenase (NAD+) activity; GO:0004508 steroid 17-alpha-monooxygenase activity; GO:0004773 steryl-sulfatase activity
- salicylic acid (CHEBI:16914) → GO:0018485 salicylaldehyde dehydrogenase (NAD+) activity; GO:0018488 aryl-aldehyde oxidase activity; GO:0018658 salicylate 1-monooxygenase activity
- 2,5-dihydroxybenzoic acid (CHEBI:17189) → GO:0018477 benzaldehyde dehydrogenase (NADP+) activity; GO:0018479 benzaldehyde dehydrogenase (NAD+) activity; GO:0018488 aryl-aldehyde oxidase activity
- porphobilinogen (CHEBI:17381) → GO:0004418 hydroxymethylbilane synthase activity; GO:0004655 porphobilinogen synthase activity
- 3-(4-hydroxyphenyl)lactic acid (CHEBI:17385) → GO:0004029 aldehyde dehydrogenase (NAD+) activity; GO:0004031 aldehyde oxidase activity; GO:0004040 amidase activity
- 4-pyridoxic acid (CHEBI:17405) → GO:0004022 alcohol dehydrogenase (NAD+) activity; GO:0004732 pyridoxal oxidase activity; GO:0047585 4-pyridoxolactonase activity
- 3-hydroxyphenylacetic acid (CHEBI:17445) → GO:0000225 N-acetylglucosaminylphosphatidylinositol deacetylase activity; GO:0003847 1-alkyl-2-acetylglycerophosphocholine esterase activity; GO:0003961 O-acetylhomoserine aminocarboxypropyltransferase activity
- (-)-quinic acid (CHEBI:17521) → GO:0030266 quinate 3-dehydrogenase (NAD+) activity; GO:0047204 chlorogenate-glucarate O-hydroxycinnamoyltransferase activity; GO:0047205 quinate O-hydroxycinnamoyltransferase activity
- 4-acetamidobutanoic acid (CHEBI:17645) → GO:0004029 aldehyde dehydrogenase (NAD+) activity; GO:0004806 triacylglycerol lipase activity; GO:0031955 short-chain fatty acid-CoA ligase activity
- glycocholic acid (CHEBI:17687) → GO:0003954 NADH dehydrogenase activity; GO:0004090 carbonyl reductase (NADPH) activity; GO:0008397 sterol 12-alpha-hydroxylase activity
- (R)-mevalonic acid (CHEBI:17710) → GO:0004022 alcohol dehydrogenase (NAD+) activity; GO:0004420 hydroxymethylglutaryl-CoA reductase (NADPH) activity; GO:0004496 mevalonate kinase activity
- N-acetyl-L-leucine (CHEBI:17786) → GO:0004046 aminoacylase activity; GO:0050050 L-leucine N-acetyltransferase activity
- N(2)-phenylacetyl-L-glutamine (CHEBI:17884) → GO:0047947 glutamine N-phenylacetyltransferase activity
- fumaric acid (CHEBI:18012) → GO:0000104 succinate dehydrogenase activity; GO:0004018 N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity; GO:0004056 argininosuccinate lyase activity
- N-benzoylglycine (CHEBI:18089) → GO:0047962 glycine N-benzoyltransferase activity; GO:0047980 hippurate hydrolase activity
- 4-hydroxyphenylacetic acid (CHEBI:18101) → GO:0000225 N-acetylglucosaminylphosphatidylinositol deacetylase activity; GO:0003847 1-alkyl-2-acetylglycerophosphocholine esterase activity; GO:0003961 O-acetylhomoserine aminocarboxypropyltransferase activity
- 5-oxo-L-proline (CHEBI:18183) → GO:0003839 gamma-glutamylcyclotransferase activity; GO:0004657 proline dehydrogenase activity; GO:0004735 pyrroline-5-carboxylate reductase activity
- kynurenic acid (CHEBI:18344) → GO:0016212 L-kynurenine:2-oxoglutarate transaminase activity; GO:0047122 quinaldate 4-oxidoreductase activity; GO:0050016 kynurenine 7,8-hydroxylase activity
- N-acetyl-L-aspartic acid (CHEBI:21547) → GO:0000515 aspartate:glutamate, proton antiporter activity; GO:0001716 L-amino-acid oxidase activity; GO:0003948 N4-(beta-N-acetylglucosaminyl)-L-asparaginase activity
- aspartic acid (CHEBI:22660) → GO:0000515 aspartate:glutamate, proton antiporter activity; GO:0001716 L-amino-acid oxidase activity; GO:0003948 N4-(beta-N-acetylglucosaminyl)-L-asparaginase activity
- inosines (CHEBI:24844) → GO:0004000 adenosine deaminase activity; GO:0004731 purine-nucleoside phosphorylase activity; GO:0008253 5'-nucleotidase activity
- threonic acid (CHEBI:26984) → GO:0050036 L-threonate 3-dehydrogenase activity
- (5-hydroxyindol-3-yl)acetic acid (CHEBI:27823) → GO:0004029 aldehyde dehydrogenase (NAD+) activity
- tryptophan (CHEBI:27897) → GO:0001716 L-amino-acid oxidase activity; GO:0003884 D-amino-acid oxidase activity; GO:0004046 aminoacylase activity
- phenyl hydrogen sulfate (CHEBI:27905) → GO:0018662 phenol 2-monooxygenase activity; GO:0018799 4-hydroxybenzoate decarboxylase activity; GO:0030736 phenol O-methyltransferase activity
- (2-hydroxyphenyl)acetic acid (CHEBI:28478) → GO:0000225 N-acetylglucosaminylphosphatidylinositol deacetylase activity; GO:0003847 1-alkyl-2-acetylglycerophosphocholine esterase activity; GO:0003961 O-acetylhomoserine aminocarboxypropyltransferase activity
- testosterone 17-glucosiduronic acid (CHEBI:28835) → GO:0004769 steroid Delta-isomerase activity; GO:0008388 steroid 15-alpha-hydroxylase activity; GO:0008390 testosterone 16-alpha-hydroxylase activity
- benzoic acid (CHEBI:30746) → GO:0018477 benzaldehyde dehydrogenase (NADP+) activity; GO:0018479 benzaldehyde dehydrogenase (NAD+) activity; GO:0018488 aryl-aldehyde oxidase activity
- 4-hydroxybenzoic acid (CHEBI:30763) → GO:0008412 4-hydroxybenzoate polyprenyltransferase activity; GO:0008813 chorismate lyase activity; GO:0018477 benzaldehyde dehydrogenase (NADP+) activity
- citric acid (CHEBI:30769) → GO:0003878 ATP citrate synthase activity; GO:0003994 aconitate hydratase activity; GO:0008814 citrate CoA-transferase activity
- 2-oxoglutaric acid (CHEBI:30915) → GO:0000908 taurine dioxygenase activity; GO:0003973 (S)-2-hydroxy-acid oxidase activity; GO:0003992 N2-acetyl-L-ornithine:2-oxoglutarate 5-transaminase activity
- pyruvic acid (CHEBI:32816) → GO:0000286 L-alanine dehydrogenase (NAD+) activity; GO:0001716 L-amino-acid oxidase activity; GO:0003941 L-serine ammonia-lyase activity
- D-gluconic acid (CHEBI:33198) → GO:0004341 gluconolactonase activity; GO:0008873 gluconate 2-dehydrogenase (NADP+) activity; GO:0008874 gluconate 5-dehydrogenase [NAD(P)+] activity
- glyceric acid (CHEBI:33508) → GO:0004029 aldehyde dehydrogenase (NAD+) activity; GO:0004031 aldehyde oxidase activity; GO:0004040 amidase activity
- (2S)-2-isopropylmalic acid (CHEBI:35128) → GO:0003852 2-isopropylmalate synthase activity; GO:0003861 3-isopropylmalate dehydratase activity
- 3-methyl-2-oxovaleric acid (CHEBI:35932) → GO:0031955 short-chain fatty acid-CoA ligase activity; GO:0033721 aldehyde dehydrogenase (NADP+) activity; GO:0050168 pentanamidase activity
- 3,4-dihydroxybenzoic acid (CHEBI:36062) → GO:0016206 catechol O-methyltransferase activity; GO:0018477 benzaldehyde dehydrogenase (NADP+) activity; GO:0018479 benzaldehyde dehydrogenase (NAD+) activity
- 2-aminoadipic acid (CHEBI:37024) → GO:0004043 L-aminoadipate-semialdehyde dehydrogenase [NAD(P)+] activity; GO:0047536 L-2-aminoadipate:2-oxoglutarate transaminase activity; GO:0050564 N-(5-amino-5-carboxypentanoyl)-L-cysteinyl-D-valine synthase activity
- 4-methoxybenzoic acid (CHEBI:40813) → GO:0018477 benzaldehyde dehydrogenase (NADP+) activity; GO:0018479 benzaldehyde dehydrogenase (NAD+) activity; GO:0018488 aryl-aldehyde oxidase activity
- sebacic acid (CHEBI:41865) → GO:0016289 acyl-CoA hydrolase activity; GO:0047851 dicarboxylate-CoA ligase activity
- (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) → GO:0000225 N-acetylglucosaminylphosphatidylinositol deacetylase activity; GO:0003847 1-alkyl-2-acetylglycerophosphocholine esterase activity; GO:0003961 O-acetylhomoserine aminocarboxypropyltransferase activity
- 4-methyl-2-oxopentanoic acid (CHEBI:48430) → GO:0001716 L-amino-acid oxidase activity; GO:0003862 3-isopropylmalate dehydrogenase activity; GO:0003863 branched-chain 2-oxo acid dehydrogenase activity
- malic acid (CHEBI:6650) → GO:0000104 succinate dehydrogenase activity; GO:0000908 taurine dioxygenase activity; GO:0003962 cystathionine gamma-synthase activity
- 1-methyluric acid (CHEBI:68441) → GO:0004846 urate oxidase activity; GO:0004854 xanthine dehydrogenase activity; GO:0004855 xanthine oxidase activity
- 1,3-dimethyluric acid (CHEBI:68447) → GO:0004846 urate oxidase activity; GO:0004854 xanthine dehydrogenase activity; GO:0004855 xanthine oxidase activity
- 1,7-dimethyluric acid (CHEBI:68449) → GO:0004846 urate oxidase activity; GO:0004854 xanthine dehydrogenase activity; GO:0004855 xanthine oxidase activity
- pyrocatechol sulfate (CHEBI:68505) → GO:0004097 catechol oxidase activity; GO:0016206 catechol O-methyltransferase activity; GO:0018504 cis-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
- dehydroisoandrosterone 3-glucuronide (CHEBI:68834) → GO:0003854 3-beta-hydroxy-Delta5-steroid dehydrogenase (NAD+) activity; GO:0004508 steroid 17-alpha-monooxygenase activity; GO:0004773 steryl-sulfatase activity
- m-hydroxyhippuric acid (CHEBI:70824) → GO:0047962 glycine N-benzoyltransferase activity; GO:0047980 hippurate hydrolase activity
- p-hydroxyhippuric acid (CHEBI:71018) → GO:0047962 glycine N-benzoyltransferase activity; GO:0047980 hippurate hydrolase activity
- pantothenic acid (CHEBI:7916) → GO:0004592 pantoate-beta-alanine ligase activity; GO:0004593 pantothenase activity; GO:0004594 pantothenate kinase activity
- N-acetylisoleucine (CHEBI:84056) → GO:0004046 aminoacylase activity
- suberic acid (CHEBI:9300) → GO:0016289 acyl-CoA hydrolase activity; GO:0047851 dicarboxylate-CoA ligase 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-isovaleryl-L-alanine (CHEBI:136818, family size 1)
- 9-Methylxanthine (CHEBI:137296, family size 1)
- Valerylglycine (CHEBI:137527, family size 1)
- deoxyhexose (CHEBI:23628, family size 1)
- methylguanosine (CHEBI:25307, family size 1)
- pentose (CHEBI:25901, family size 1)
- N-acetyl-L-2-aminoadipic acid (CHEBI:31885, family size 2)
- 3,5-dihydroxybenzoic acid (CHEBI:39912, family size 1)
- N-hexanoylglycine (CHEBI:64390, family size 2)
- 2-(2-methoxyethoxy)propanoic acid (CHEBI:67255, family size 1)
- gamma-Glu-Leu (CHEBI:68433, family size 10)
- gamma-Glu-Ile (CHEBI:68434, family size 2)
- 1-methyl-7H-xanthine (CHEBI:68444, family size 1)
- o-methylhippuric acid (CHEBI:68455, family size 1)
- 2,2-dimethylglutaric acid (CHEBI:68459, family size 1)
- 3-indole carboxylic acid glucuronide (CHEBI:68486, family size 1)
- 3-methoxysalicylic acid (CHEBI:68496, family size 1)
- 3-methylcrotonyl glycine (CHEBI:68499, family size 1)
- m-methylhippuric acid (CHEBI:68500, family size 1)
- 3,3-dimethylglutaric acid (CHEBI:68502, family size 1)
- p-methylhippuric acid (CHEBI:68552, family size 1)
- 5-sulfosalicylic acid (CHEBI:68555, family size 1)
- 5-aminosalicyluric acid (CHEBI:68589, family size 1)
- alpha-Asp-Leu (CHEBI:68596, family size 1)
- alpha-Asp-Ile (CHEBI:68599, family size 1)
- N-cinnamoylglycine (CHEBI:68616, family size 2)
- Glu-Val (CHEBI:68846, family size 1)
- heptylmalonic acid (CHEBI:70747, family size 1)
- 3-hydroxysuberic acid (CHEBI:70766, family size 1)
- methyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate (CHEBI:70831, family size 1)
- monoethyl phthalate (CHEBI:70973, family size 1)
- N-acetyltryptophan (CHEBI:70976, family size 2)
- 3,4,5,6-tetrahydrohippuric acid (CHEBI:71172, family size 1)
- N-nicotinoylglycine (CHEBI:7563, family size 1)
- 2-(acetylamino)-4-methylphenyl acetate (CHEBI:84085, family size 1)
- 6-(2-hydroxyethoxy)-6-oxohexanoic acid (CHEBI:84086, family size 1)
- 6-(carboxymethoxy)hexanoic acid (CHEBI:84088, family size 1)
- Phe-Tyr-Asp (CHEBI:84102, 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).