Skip to content

Instantly share code, notes, and snippets.

@cthoyt

cthoyt/gilda_demo.ipynb

Last active February 3, 2023 16:39
Show Gist options
  • Save cthoyt/1dbe55dd412f8be09e64a0ad4a80d319 to your computer and use it in GitHub Desktop.
Save cthoyt/1dbe55dd412f8be09e64a0ad4a80d319 to your computer and use it in GitHub Desktop.
Download ZIP
Ground chemicals suggested by David Osumi-Sutherland on Slack at https://obo-communitygroup.slack.com/archives/C01KUEWMSSC/p1675432789746889
Display the source blob
Display the rendered blob
Raw
gilda_demo.ipynb
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Raw
groundings.tsv
text chebi_id chebi_label score
S-1-pyrroline-5-carboxylate CHEBI:17388 (S)-1-pyrroline-5-carboxylate 0.56
spermidine CHEBI:16610 spermidine 0.78
1-methylnicotinamide CHEBI:16797 1-methylnicotinamide 0.78
12,13-DiHOME CHEBI:72665 12,13-DiHOME 0.78
alpha-ketoglutarate CHEBI:16810 2-oxoglutarate(2-) 0.56
kynurenate CHEBI:58454 kynurenate 0.78
3-hydroxyisobutyrate CHEBI:11805 3-hydroxyisobutyrate 0.78
3-hydroxy-3-methylglutarate CHEBI:17325 3-hydroxy-3-methylglutarate(2-) 0.56
3-phosphoglycerate CHEBI:132960 3-phosphoglycerate 0.78
cholate CHEBI:29747 cholate 0.78
4-hydroxyphenylacetate CHEBI:48999 4-hydroxyphenylacetate 0.78
5,6-dihydrothymine CHEBI:27468 5,6-dihydrothymine 0.78
9,10-DiHOME CHEBI:72663 9,10-DiHOME 0.78
quinolinate CHEBI:132942 quinolinate 0.78
N-acetylputrescine CHEBI:17768 N-acetylputrescine 0.78
N-formylmethionine CHEBI:16552 N-formyl-L-methionine 0.56
arginine CHEBI:29016 arginine 0.78
aspartate CHEBI:132943 aspartate 0.78
2-hydroxyphenylacetate CHEBI:62423 (2-hydroxyphenyl)acetate 0.56
3-(4-hydroxyphenyl)lactate CHEBI:36659 3-(4-hydroxyphenyl)lactate 0.78
phenylpyruvate CHEBI:26008 phenylpyruvate 0.78
beta-alanine CHEBI:16958 beta-alanine 0.78
biliverdin CHEBI:17033 biliverdin 0.78
succinate CHEBI:26806 succinate 0.78
cholesterol CHEBI:16113 cholesterol 1.0
choline phosphate CHEBI:18132 phosphocholine 0.55
cortisone CHEBI:16962 cortisone 0.78
creatinine CHEBI:16737 creatinine 0.78
cysteinylglycine CHEBI:4047 L-cysteinylglycine 0.54
cystine CHEBI:17376 cystine 0.78
sphingosine CHEBI:16393 sphingosine 0.78
deoxycholate CHEBI:23614 deoxycholate 0.78
cystathionine CHEBI:17755 cystathionine 0.78
sphinganine CHEBI:16566 sphinganine 0.78
gamma-glutamylglutamate CHEBI:73705 gamma-Glu-Glu 0.55
gluconate CHEBI:24265 gluconate 0.78
glycine CHEBI:15428 glycine 0.78
glycocholate CHEBI:29746 glycocholate 0.78
guanidinoacetate CHEBI:131444 guanidinoacetate 0.78
histidine CHEBI:27570 histidine 0.78
cortisol CHEBI:17650 cortisol 0.78
hypotaurine CHEBI:16668 hypotaurine 0.78
inosine CHEBI:17596 inosine 0.78
myo-inositol CHEBI:17268 myo-inositol 0.78
isoleucine CHEBI:24898 isoleucine 0.78
citrulline CHEBI:18211 citrulline 0.78
leucine CHEBI:25017 leucine 0.78
lysine CHEBI:25094 lysine 0.78
malate CHEBI:25115 malate 0.78
methionine CHEBI:16811 methionine 0.78
nicotinamide CHEBI:17154 nicotinamide 0.78
ornithine CHEBI:18257 ornithine 0.78
orotate CHEBI:30839 orotate 0.78
phenylalanine CHEBI:28044 phenylalanine 0.78
phosphate CHEBI:26020 phosphate 0.78
phytanate CHEBI:37257 phytanate 0.78
pristanate CHEBI:77268 pristanate 0.78
proline CHEBI:26271 proline 0.78
lactate CHEBI:24996 lactate 1.0
pyridoxal CHEBI:17310 pyridoxal 0.78
salicylate CHEBI:30762 salicylate 0.78
serine CHEBI:17822 serine 0.78
serotonin CHEBI:28790 serotonin 0.78
taurine CHEBI:15891 taurine 0.78
urea CHEBI:16199 urea 0.78
uridine CHEBI:16704 uridine 1.0
2'-deoxyuridine CHEBI:16450 2'-deoxyuridine 0.78
trans-urocanate CHEBI:17771 trans-urocanate 0.78
glutamate CHEBI:14321 glutamate(1-) 0.56
glutamine CHEBI:28300 glutamine 0.78
threonine CHEBI:26986 threonine 0.78
tryptophan CHEBI:27897 tryptophan 0.78
valine CHEBI:27266 valine 0.78
glucose CHEBI:17234 glucose 1.0
alpha-ketobutyrate CHEBI:16763 2-oxobutanoate 0.56
betaine CHEBI:17750 glycine betaine 0.54
cysteine CHEBI:15356 cysteine 0.78
mannose CHEBI:37684 mannose 0.78
dimethylglycine CHEBI:17724 N,N-dimethylglycine 0.54
alanine CHEBI:16449 alanine 0.78
tyrosine CHEBI:18186 tyrosine 0.78
pseudouridine CHEBI:17802 pseudouridine 0.78
pyruvate CHEBI:15361 pyruvate 0.78
xylose CHEBI:18222 xylose 0.78
cytidine CHEBI:17562 cytidine 0.78
caffeine CHEBI:27732 caffeine 1.0
fructose CHEBI:28757 fructose 0.78
cytosine CHEBI:16040 cytosine 0.78
maltose CHEBI:17306 maltose 0.78
asparagine CHEBI:22653 asparagine 0.78
dihydroorotate CHEBI:30867 dihydroorotate 0.78
sucrose CHEBI:17992 sucrose 0.78
allantoin CHEBI:15676 allantoin 0.78
xanthine CHEBI:15318 xanthine 0.78
5-oxoproline CHEBI:16010 5-oxoproline 0.78
picolinate CHEBI:38184 picolinate 0.78
sarcosine CHEBI:15611 sarcosine 0.78
pantothenate CHEBI:16454 pantothenate 0.78
pipecolate CHEBI:36110 pipecolate 0.78
phosphoethanolamine CHEBI:36711 phosphoethanolamine 0.78
glycerate CHEBI:33871 glycerate 0.78
3-ureidopropionate CHEBI:11892 N-carbamoyl-beta-alaninate 0.56
N-acetylleucine CHEBI:166830 N-acetyl-leucine 0.78
N-acetylmethionine CHEBI:132958 N-acetylmethionine 0.78
N-acetylvaline CHEBI:169985 N-Acetyl-Valine 0.77
thyroxine CHEBI:30660 thyroxine 0.78
gamma-glutamyltyrosine CHEBI:82969 gamma-Glu-Tyr 0.56
alpha-tocopherol CHEBI:22470 alpha-tocopherol 0.78
N-acetylalanine CHEBI:40992 N-acetyl-L-alanine 0.55
4-acetamidobutanoate CHEBI:11951 4-acetamidobutanoate 0.78
3-aminoisobutyrate CHEBI:49096 3-aminoisobutyrate 0.78
citrate CHEBI:133748 citrate anion 0.56
urate CHEBI:17775 7,9-dihydro-1H-purine-2,6,8(3H)-trione 0.56
ursodeoxycholate CHEBI:78604 ursodeoxycholate 0.78
oleoyl ethanolamide CHEBI:71466 oleoyl ethanolamide 0.78
4-hydroxyphenylpyruvate CHEBI:36242 3-(4-hydroxyphenyl)pyruvate 0.55
N-acetylneuraminate CHEBI:35418 N-acetylneuraminate 0.78
N-acetylglucosaminylasparagine CHEBI:17261 N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine 0.55
acetoacetate CHEBI:13705 acetoacetate 0.78
creatine CHEBI:16919 creatine 1.0
cys-gly, oxidized CHEBI:133040 Cys-Gly disulfide 0.51
dihomo-linoleate (20:2n6) CHEBI:88670 Dihomo-linoleate (20:2n6) 0.77
gamma-glutamylhistidine CHEBI:133032 gamma-Glu-His 0.56
2-hydroxystearate CHEBI:76724 2-hydroxyoctadecanoate 0.56
glycerol CHEBI:17754 glycerol 0.78
choline CHEBI:15354 choline 0.78
anthranilate CHEBI:16567 anthranilate 0.78
3-methoxytyrosine CHEBI:172453 3-Methoxytyrosine 0.77
beta-hydroxyisovalerate CHEBI:82957 3-hydroxyisovalerate 0.56
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) CHEBI:72838 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1-) 0.56
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) CHEBI:73002 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 0.56
1-palmitoyl-2-oleoyl-GPC (16:0/18:1) CHEBI:73001 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 0.56
glycochenodeoxycholate CHEBI:36252 glycochenodeoxycholate 0.78
taurochenodeoxycholate CHEBI:9407 taurochenodeoxycholate 0.78
taurocholate CHEBI:36257 taurocholate 0.78
taurodeoxycholate CHEBI:36261 taurodeoxycholate 0.78
4-acetaminophen sulfate CHEBI:32635 paracetamol sulfate 0.56
methylsuccinate CHEBI:132961 methylsuccinate 0.78
ethylmalonate CHEBI:132938 ethylmalonate 0.78
carnitine CHEBI:17126 carnitine 0.78
benzoate CHEBI:16150 benzoate 0.78
phenylacetate CHEBI:18401 phenylacetate 0.78
hippurate CHEBI:132966 hippurate 0.78
xanthurenate CHEBI:71201 xanthurenate 0.78
3-methyl-2-oxovalerate CHEBI:28654 3-methyl-2-oxovalerate 0.78
methionine sulfoxide CHEBI:49033 methionine S-oxide 0.56
3-methylhistidine CHEBI:70959 3-methylhistidine 0.78
5-hydroxylysine CHEBI:60175 5-hydroxylysine 0.78
4-guanidinobutanoate CHEBI:86392 4-guanidinobutanoate 0.78
glucuronate CHEBI:24297 glucuronate 0.78
imidazole lactate CHEBI:24773 3-(imidazol-5-yl)lactate 0.55
kynurenine CHEBI:28683 kynurenine 0.78
maltotriose CHEBI:61993 maltotriose 0.78
ribitol CHEBI:15963 ribitol 0.78
glycodeoxycholate CHEBI:82982 glycodeoxycholate 0.78
theophylline CHEBI:28177 theophylline 0.78
quinate CHEBI:26490 quinate 0.78
theobromine CHEBI:28946 theobromine 0.78
gentisate CHEBI:58044 2,5-dihydroxybenzoate 0.56
paraxanthine CHEBI:25858 1,7-dimethylxanthine 0.54
indolelactate CHEBI:17282 3-(indol-3-yl)lactate 0.54
3-indoxyl sulfate CHEBI:43355 indoxyl sulfate 0.55
4-methyl-2-oxopentanoate CHEBI:17865 4-methyl-2-oxopentanoate 0.78
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) CHEBI:133606 1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1-) 0.56
sphingosine 1-phosphate CHEBI:37550 sphingosine 1-phosphate 0.78
1-myristoyl-2-palmitoyl-GPC (14:0/16:0) CHEBI:75062 1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine 0.56
alpha-hydroxyisocaproate CHEBI:133577 2-hydroxy-4-methylvalerate 0.56
maleate CHEBI:132951 maleate 0.78
4-acetylphenol sulfate CHEBI:133225 4-acetylphenyl sulfate 0.56
2-hydroxyoctanoate CHEBI:133514 2-hydroxyoctanoate 0.78
3-hydroxyoctanoate CHEBI:133511 3-hydroxyoctanoate 0.78
erythritol CHEBI:17113 erythritol 0.78
2,3-dihydroxypyridine CHEBI:131454 pyridine-2,3-diol 0.55
3-hydroxymyristate CHEBI:84197 3-hydroxytetradecanoate 0.56
3-methyl-2-oxobutyrate CHEBI:11851 3-methyl-2-oxobutanoate 0.56
homoarginine CHEBI:24606 homoarginine 0.78
homocitrulline CHEBI:58148 L-homocitrulline zwitterion 0.56
3-hydroxydecanoate CHEBI:132979 3-hydroxydecanoate 0.78
citramalate CHEBI:13997 citramalate(2-) 0.56
EDTA CHEBI:42191 ethylenediaminetetraacetic acid 0.56
N-acetylglycine CHEBI:40410 N-acetylglycine 0.78
threonate CHEBI:15243 threonate 0.78
galactonate CHEBI:24148 galactonate 0.78
1-methylhistidine CHEBI:70958 1-methylhistidine 0.78
glycolithocholate CHEBI:60008 glycolithocholate 0.78
androsterone sulfate CHEBI:83037 androsterone sulfate 0.78
indolepropionate CHEBI:82916 3-(1H-indol-3-yl)propanoate 0.56
N-acetyltyrosine CHEBI:68561 N-acetyltyrosine 0.78
3-methylxanthine CHEBI:62205 3-methylxanthine 0.78
3-hydroxylaurate CHEBI:76616 3-hydroxylaurate 0.78
pyridoxate CHEBI:132948 pyridoxate 0.78
gamma-glutamylvaline CHEBI:68848 gamma-Glu-Val 0.55
3-hydroxysebacate CHEBI:132934 3-hydroxysebacate 0.78
5-hydroxyhexanoate CHEBI:132985 5-hydroxyhexanoate 0.78
propionylglycine CHEBI:89836 propionylglycine 0.78
butyrylglycine CHEBI:89963 butyrylglycine 0.78
pro-hydroxy-pro CHEBI:133733 Pro-Hyp zwitterion 0.56
3-hydroxy-2-ethylpropionate CHEBI:82955 2-ethylhydracrylate 0.56
1-methyl-4-imidazoleacetate CHEBI:132918 1-methyl-4-imidazoleacetate 0.78
stearidonate (18:4n3) CHEBI:77222 (6Z,9Z,12Z,15Z)-octadecatetraenoate 0.56
tauro-beta-muricholate CHEBI:133064 tauro-beta-muricholate 0.78
N-acetylglutamine CHEBI:73685 N(2)-acetylglutamine 0.55
N-acetylphenylalanine CHEBI:21626 N-acetylphenylalanine 0.78
N-acetylasparagine CHEBI:138368 N-acetylasparagine 0.78
1-palmitoyl-GPC (16:0) CHEBI:72998 1-hexadecanoyl-sn-glycero-3-phosphocholine 0.56
piperine CHEBI:28821 piperine 0.78
campesterol CHEBI:28623 campesterol 0.78
N-acetylisoleucine CHEBI:84056 N-acetylisoleucine 0.78
hyocholate CHEBI:133661 hyocholate 0.78
epiandrosterone sulfate CHEBI:83040 epiandrosterone sulfate 0.78
N-acetylhistidine CHEBI:86910 N-acetylhistidine 0.78
gamma-glutamyltryptophan CHEBI:133028 gamma-Glu-Trp 0.56
stachydrine CHEBI:35280 L-proline betaine 0.54
alpha-hydroxyisovalerate CHEBI:64669 2-hydroxy-3-methylbutyrate 0.56
gamma-glutamylthreonine CHEBI:82968 gamma-glutamylthreonine 0.78
p-cresol sulfate CHEBI:82914 p-cresol sulfate 0.78
N-acetylproline CHEBI:165873 N-Acetyl-proline 0.77
1-linoleoyl-GPC (18:2) CHEBI:28733 1-linoleoyl-sn-glycero-3-phosphocholine 0.56
7-methylxanthine CHEBI:48991 7-methylxanthine 0.78
1,3,7-trimethylurate CHEBI:132940 1,3,7-trimethylurate 0.78
5-acetylamino-6-formylamino-3-methyluracil CHEBI:32643 5-acetamido-6-formamido-3-methyluracil 0.55
5-acetylamino-6-amino-3-methyluracil CHEBI:80473 5-Acetylamino-6-amino-3-methyluracil 0.77
1-methylxanthine CHEBI:68443 1-methylxanthine 0.78
N1-methylinosine CHEBI:19065 1-methylinosine 0.55
N6-carbamoylthreonyladenosine CHEBI:21440 N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine 0.55
orotidine CHEBI:25722 orotidine 0.78
phenylacetylglutamine CHEBI:25982 phenylacetylglutamine 0.78
4-hydroxyhippurate CHEBI:133613 p-hydroxyhippurate 0.56
5,6-dihydrouridine CHEBI:23774 dihydrouridine 0.56
cysteine-glutathione disulfide CHEBI:143243 cysteineglutathione disulfide 0.78
isovalerylglycine CHEBI:70984 N-isovalerylglycine 0.56
7-methylguanine CHEBI:2274 7-methylguanine 0.78
3-methylcytidine CHEBI:20129 3-methylcytidine 0.78
gamma-glutamyl-2-aminobutyrate CHEBI:133093 gamma-Glu-Abu(1-) 0.56
phenol sulfate CHEBI:27905 phenyl hydrogen sulfate 0.55
malonylcarnitine CHEBI:73028 O-malonylcarnitine 0.56
hexanoylglycine CHEBI:64390 N-hexanoylglycine 0.54
2-hydroxy-3-methylvalerate CHEBI:133082 (2R,3R)-2-hydroxy-3-methylpentanoate 0.56
1-palmitoyl-GPE (16:0) CHEBI:73004 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion 0.56
N-acetylcitrulline CHEBI:49006 N-acetylcitrulline 0.78
2-hydroxypalmitate CHEBI:65097 2-hydroxyhexadecanoate 0.56
isobutyrylglycine CHEBI:70979 N-isobutyrylglycine 0.56
hydroquinone sulfate CHEBI:133073 quinol sulfate(1-) 0.56
catechol sulfate CHEBI:133072 pyrocatechol sulfate(1-) 0.56
glycerophosphoethanolamine CHEBI:36314 glycerophosphoethanolamine 0.78
3-(3-hydroxyphenyl)propionate CHEBI:57277 3-(3-hydroxyphenyl)propanoate 0.56
1-palmitoyl-GPI (16:0) CHEBI:72833 1-hexadecanoyl-sn--glycero-3-phospho-D-myo-inositol(1-) 0.56
taurolithocholate 3-sulfate CHEBI:58301 taurolithocholic acid sulfate(2-) 0.56
deoxycarnitine CHEBI:16244 4-(trimethylammonio)butanoate 0.56
alpha-hydroxycaproate CHEBI:133738 2-hydroxyhexanoate 0.56
indoleacetylglutamine CHEBI:176458 Indoleacetylglutamine 0.76
tryptophan betaine CHEBI:5832 hypaphorine 0.55
4-vinylphenol sulfate CHEBI:82931 4-vinylphenol sulfate 0.78
thymol sulfate CHEBI:82911 thymol sulfate 0.78
3-methyladipate CHEBI:132959 3-methyladipate 0.78
pyrraline CHEBI:604731 pyrraline 0.78
1-oleoyl-GPI (18:1) CHEBI:78762 1-oleoyl-sn-glycero-3-phospho-D-myo-inositol(1-) 0.56
o-cresol sulfate CHEBI:133090 o-cresol sulfate 0.78
gamma-glutamylalanine CHEBI:50621 gamma-glutamylalanine 0.78
N-acetylserine CHEBI:45441 N-acetyl-L-serine 0.56
1-stearoyl-2-oleoyl-GPE (18:0/18:1) CHEBI:75038 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion 0.56
chiro-inositol CHEBI:23098 chiro-inositol 0.78
4-allylphenol sulfate CHEBI:133096 chavicol hydrogen sulfate 0.56
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) CHEBI:74965 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine 0.56
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) CHEBI:73008 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine zwitterion 0.56
N-methylproline CHEBI:90344 N-methylproline 0.78
beta-cryptoxanthin CHEBI:10362 beta-cryptoxanthin 0.78
5alpha-androstan-3beta,17beta-diol disulfate CHEBI:133114 5alpha-androstane-3beta,17beta-diol disulfate anion 0.56
5alpha-pregnan-3beta,20alpha-diol disulfate CHEBI:133118 5alpha-pregnane-3beta,20alpha-diol disulfate anion 0.56
21-hydroxypregnenolone disulfate CHEBI:133695 21-hydroxypregnenolone disulfate 0.78
5alpha-androstan-3alpha,17beta-diol disulfate CHEBI:133100 5alpha-androstane-3alpha,17beta-diol disulfate anion 0.56
5alpha-androstan-3beta,17alpha-diol disulfate CHEBI:133111 5alpha-androstane-3beta,17alpha-diol disulfate anion 0.56
4-hydroxycoumarin CHEBI:40070 4-hydroxycoumarin 0.78
2-hydroxyglutarate CHEBI:132941 2-hydroxyglutarate 0.78
gamma-CEHC CHEBI:89379 gamma-CEHC 0.78
N-acetyl-beta-alanine CHEBI:16682 N-acetyl-beta-alanine 0.78
palmitoyl sphingomyelin (d18:1/16:0) CHEBI:78646 N-hexadecanoylsphingosine-1-phosphocholine 0.56
3-hydroxyhippurate CHEBI:133607 m-hydroxyhippurate 0.56
16a-hydroxy DHEA 3-sulfate CHEBI:87538 16alpha-hydroxydehydroepiandrosterone 3-sulfate(1-) 0.56
pregnenolone sulfate CHEBI:35420 pregnenolone sulfate 0.78
ergothioneine CHEBI:4828 ergothioneine 0.78
indole-3-carboxylate CHEBI:62448 indole-3-carboxylate 0.78
4-cholesten-3-one CHEBI:16175 cholest-4-en-3-one 0.56
2,3-dihydroxyisovalerate CHEBI:11424 2,3-dihydroxy-3-methylbutanoate 0.56
isoursodeoxycholate CHEBI:78602 isoursodeoxycholate 0.78
hydantoin-5-propionate CHEBI:133476 hydantoin-5-propionate 0.78
4-hydroxy-2-oxoglutaric acid CHEBI:30923 4-hydroxy-2-oxoglutaric acid 0.78
pantoate CHEBI:14737 pantoic acid 0.54
S-methylcysteine CHEBI:45658 S-methylcysteine 0.78
androsterone glucuronide CHEBI:28832 androsterone 3-glucosiduronic acid 0.55
4-oxo-retinoic acid CHEBI:80656 all-trans-4-oxoretinoic acid 0.56
1-lignoceroyl-GPC (24:0) CHEBI:86260 1-tetracosanoyl-sn-glycero-3-phosphocholine 0.56
glycoursodeoxycholate CHEBI:132030 glycoursodeoxycholate 0.78
N-oleoyltaurine CHEBI:146206 N-oleoyltaurine 0.78
beta-citrylglutamate CHEBI:76942 beta-citrylglutamate(4-) 0.56
trimethylamine N-oxide CHEBI:15724 trimethylamine N-oxide 0.78
dihydroferulate CHEBI:133751 dihydroferulate 0.78
imidazole propionate CHEBI:72991 dihydrourocanate 0.56
pregnanediol-3-glucuronide CHEBI:88765 Pregnanediol-3-glucuronide 0.77
alliin CHEBI:2596 alliin 0.78
prolylglycine CHEBI:61696 L-prolinylglycine zwitterion 0.56
N-palmitoylglycine CHEBI:39540 N-hexadecanoylglycine 0.56
succinimide CHEBI:9307 succinimide 0.78
lanthionine CHEBI:25013 lanthionine 0.78
(R)-3-hydroxybutyrylcarnitine CHEBI:84842 (R)-3-hydroxybutyrylcarnitine 0.78
N-acetylcarnosine CHEBI:67249 N-acetylcarnosine 0.78
N-methyltaurine CHEBI:176462 N-Methyltaurine 0.77
glycohyocholate CHEBI:133177 glycohyocholate 0.78
2-hydroxydecanoate CHEBI:133174 2-hydroxydecanoate 0.78
3b-hydroxy-5-cholenoic acid CHEBI:89234 3b-Hydroxy-5-cholenoic acid 0.77
guaiacol sulfate CHEBI:133460 guaiacol sulfate 0.78
2-aminooctanoate CHEBI:142420 2-aminooctanoate 0.78
dimethyl sulfone CHEBI:9349 sulfonyldimethane 0.56
indolin-2-one CHEBI:31697 indolin-2-one 0.78
2-aminophenol sulfate CHEBI:133186 2-aminophenyl hydrogen sulfate 0.56
6-oxopiperidine-2-carboxylate CHEBI:133178 6-ketopiperidine-2-carboxylate 0.56
S-allylcysteine CHEBI:74077 S-allylcysteine 0.78
N-delta-acetylornithine CHEBI:133180 N(5)-acetylornithine zwitterion 0.56
acisoga CHEBI:133185 N-(3-acetamidopropyl)pyrrolidin-2-one 0.54
2-aminoheptanoate CHEBI:133223 2-aminoheptanoic acid zwitterion 0.56
N-formylanthranilic acid CHEBI:36575 N-formylanthranilic acid 0.78
3-methoxytyramine sulfate CHEBI:133708 3-methoxytyramine sulfate 0.78
methionine sulfone CHEBI:132188 methionine sulfone 0.78
N-acetylalliin CHEBI:133430 N-acetylalliin 0.78
fructosyllysine CHEBI:24109 fructosyllysine 0.78
O-sulfo-L-tyrosine CHEBI:46215 O(4')-sulfo-L-tyrosine 0.56
ferulic acid 4-sulfate CHEBI:133508 ferulic acid 4-sulfate 0.78
etiocholanolone glucuronide CHEBI:133504 etiocholanolone 3-glucuronide 0.56
N-acetyltaurine CHEBI:84415 acetyltaurine 0.55
9-hydroxystearate CHEBI:136286 9-hydroxyoctadecanoate 0.56
N-formylphenylalanine CHEBI:133534 N-formyl-L-phenylalanine 0.56
4-hydroxychlorothalonil CHEBI:133542 4-hydroxychlorothalonil 0.78
tyramine O-sulfate CHEBI:133530 tyramine sulfate 0.56
3-hydroxypyridine sulfate CHEBI:133559 3-hydroxypyridine sulfate 0.78
methyl-4-hydroxybenzoate sulfate CHEBI:133532 methyl-4-hydroxybenzoate O-sulfate 0.56
vanillic alcohol sulfate CHEBI:133582 vanillyl alcohol monosulfate(1-) 0.56
4-vinylguaiacol sulfate CHEBI:133544 4-vinylguaiacol sulfate 0.78
eugenol sulfate CHEBI:133570 eugenol sulfate 0.78
2-methoxyresorcinol sulfate CHEBI:133548 2-methoxyresorcinol sulfate 0.78
2-acetamidophenol sulfate CHEBI:133562 2-acetamidophenol sulfate 0.78
6-hydroxyindole sulfate CHEBI:133568 6-hydroxyindole sulfate 0.78
propyl 4-hydroxybenzoate sulfate CHEBI:133706 propyl 4-hydroxybenzoate sulfate 0.78
ethylparaben sulfate CHEBI:133704 ethyl 4-hydroxybenzoate sulfate 0.56
umbelliferone sulfate CHEBI:133565 umbelliferone sulfate 0.78
dopamine 4-sulfate CHEBI:34729 dopamine 4-O-sulfate 0.56
dopamine 3-O-sulfate CHEBI:37946 dopamine 3-O-sulfate 0.78
3-hydroxyhexanoate CHEBI:20070 3-hydroxyhexanoate 0.78
C-glycosyltryptophan CHEBI:165856 C-Glycosyltryptophan 0.77
linoleoyl ethanolamide CHEBI:64032 linoleoyl ethanolamide 0.78
1-stearoyl-2-oleoyl-GPC (18:0/18:1) CHEBI:75034 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine 0.56
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) CHEBI:74963 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 0.56
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) CHEBI:84829 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 0.56
1-palmitoyl-2-stearoyl-GPC (16:0/18:0) CHEBI:73000 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine 0.56
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) CHEBI:78268 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion 0.56
thioproline CHEBI:64564 thioproline 0.78
palmitoylcholine CHEBI:133677 hexadecanoylcholine 0.56
2-methylserine CHEBI:134206 2-methylserine 0.78
catechol glucuronide CHEBI:133689 catechol beta-D-glucuronide 0.56
ascorbic acid 2-sulfate CHEBI:2869 ascorbic acid 2-sulfate 0.78
oleoylcholine CHEBI:133693 oleoylcholine 0.78
arachidonoylcholine CHEBI:133694 arachidonoylcholine 0.78
caffeic acid sulfate CHEBI:133740 caffeic acid 3-sulfate(2-) 0.56
2'-O-methylcytidine CHEBI:19228 2'-O-methylcytidine 0.78
2'-O-methyluridine CHEBI:19227 2'-O-methyluridine 0.78
N-oleoylserine CHEBI:136614 N-oleoyl-L-serine 0.56
2-butenoylglycine CHEBI:165848 2-Butenoylglycine 0.77
3-hydroxyoleoylcarnitine CHEBI:73076 (9Z)-3-hydroxyoctadecenoylcarnitine 0.56
3-formylindole CHEBI:28238 indole-3-carbaldehyde 0.55
8-methoxykynurenate CHEBI:2323 4-hydroxy-8-methoxyquinaldic acid 0.55
3-amino-2-piperidone CHEBI:76341 3-aminopiperidine-2-one 0.56
N,N-dimethylalanine CHEBI:77042 N,N-dimethyl-L-alanine 0.56
N-acetyl-isoputreanine CHEBI:176478 N-Acetylisoputreanine 0.77
2-naphthol sulfate CHEBI:167215 2-naphthyl sulfate 0.56
cholic acid glucuronide CHEBI:137056 cholic acid glucuronide 0.78
2,6-dihydroxybenzoic acid CHEBI:68465 2,6-dihydroxybenzoic acid 0.78
taurochenodeoxycholic acid 3-sulfate CHEBI:166737 Taurochenodeoxycholic acid 3-sulfate 0.77
3-hydroxydecanoylcarnitine CHEBI:73051 3-hydroxydecanoylcarnitine 0.78
picolinoylglycine CHEBI:89884 Picolinoylglycine 0.76
2-hydroxy-4-(methylthio)butanoic acid CHEBI:137228 2-hydroxy-4-(methylthio)butanoic acid 0.78
2,4-di-tert-butylphenol CHEBI:89188 2,4-di-tert-butylphenol 0.78
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment