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Term:
Parent Terms Term With Siblings Child Terms
(11R,12S)-EET 
(2-naphthyl)methanol +  
(20S,23)-dihydroxyvitamin D3 
(20S,23,24)-trihydroxyvitamin D3 
(20S,23,25)-trihydroxyvitamin D3 
(2E,5E)-tetradecadienoyl-CoA 
(2E,6E)-farnesyl monophosphate 
(2R)-2-methylacyl-CoA +  
(2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid 
(2S)-2-methylacyl-CoA +  
(4E,7E,10E,13E,16E)-docosapentaenoylcarnitine 
(4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine 
(5E)-tetradecenoyl-CoA 
(5E)-tetradecenoyl-L-carnitine 
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid 
(6-methoxy-2-naphthyl)acetic acid 
(8R,9S)-EET 
(8S,9R)-EET 
(E)-isoheptadec-2-enoyl-CoA 
(E)-isopentadec-2-enoyl-CoA 
(methylthio)acetic acid 
(R)-2-benzylsuccinic acid 
(R)-2-hydroxy-4-methylpentanoyl-CoA 
(R)-3-hydroxypentanoyl-CoA 
(S)-3-hydroxypentanoyl-CoA 
(S)-glaucine +   
(Z)-icos-13-enoic acid 
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid 
1,2-bis(octadec-9-enoyl)phosphatidic acid +   
1,2-ditetradecanoyl-3-(6-sulfoquinovopyranosyl)glycerol 
1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2-propen-1-one 
1-docosanoyl-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine 
1-docosanoyl-2-tetradecanoyl-sn-glycero-3-phosphoethanolamine 
1-hexadecanoyl-2-icosanoyl-sn-glycero-3-phosphoethanolamine 
1-icosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine 
1-icosanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine 
1-O-(5,6-epoxyretinoyl)-beta-D-glucuronic acid 
1-octadecanoyl-2-pentadecanoyl-sn-glycero-3-phosphocholine 
1-pentadecanoyl-2-docosanoyl-sn-glycero-3-phosphoethanolamine 
1-pentadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine 
1-pentadecanoyl-sn-glycero-3-phosphocholine 
1-tetradecanoyl-2-docosanoyl-sn-glycero-3-phosphoethanolamine 
10-HETE 
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid 
11,12-EET +  
11-HEPE +  
12(S)-HEPE 
12-methyloctadecanoyl-CoA 
13,14-dihydroprostaglandin F2alpha 
13-HETE +  
16-hydroxytriptolide 
19-hydroxyleukotriene B4 
2,2-bis(4-chlorophenyl)ethanol 
2,3,4,5-tetrachlorophenol  
2,3,4,6-tetrachlorophenol 
2,3-epoxymenatetrenone 
2,4-diamino-6-hydroxylaminotoluene 
2,4-diamino-6-nitrotoluene 
2,4-dihydroxyacetophenone-5-O-sulfate 
2,4-dihydroxylamino-6-nitrotoluene 
2,6-diamino-4-nitrotoluene 
2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline 
2-acetamidophenol  
2-chloroethanol  
2-exo-hydroxy-1,4-cineole 
2-hydroxy-3-methyldodecanoyl-CoA 
2-hydroxy-3-methylnonanoyl-CoA 
2-hydroxy-3-methylundecanoyl-CoA 
2-hydroxybutanoyl-CoA +  
2-hydroxyisovaleryl-CoA 
2-hydroxylamino-4,6-dinitrotoluene 
2-methyl-3-oxopalmitoyl-CoA 
2-methylbutanoyl-CoA +  
2-methylhexadecanoyl-CoA 
2-methylhexanoyl-CoA 
2-methylhexenoyl-CoA 
2-methylpentadecenoyl-CoA +  
2-methylpropane-1,2-diol 
2-methylthio-1,3-benzothiazole 
2-methylthioethanol 
2-naphthoate +  
2-naphthoic acid +   
23-acetoxysoladulcidine 
2beta-hydroxytestosterone 
3,4-dihydro-4-[(5-methyl-2-furanyl)methylene]-2H-pyrrole 
3,5-dibromo-4-hydroxybenzamide 
3,5-xylenol +   
3-(5-methylfurfuryl)pyrrole 
3-amino-5-morpholinomethyl-2-oxazolidinone 
3-hydroxy-2,2-dimethylbutyric acid 
3-hydroxyisoheptadecanoyl-CoA 
3-hydroxyisopentadecanoyl-CoA 
3-methylbut-2-enoyl-CoA 
3-methylbut-3-enoyl-CoA 
3-methyldodecanoyl-CoA 
3-methylnonanoyl-CoA 
3-methylpalmitoyl-CoA 
3-methylundecanoyl-CoA 
3-oxoisoheptadecanoyl-CoA 
3-oxoisooctadecanoyl-CoA 
3-oxoisopentadecanoyl-CoA 
4-acetamido-2-amino-6-nitrotoluene 
4-amino-2-hydroxylamino-6-nitrotoluene 
4-aminobenzenesulfonate 
4-aminobenzenesulfonic acid 
4-bromophenol 
4-chlorophenylacetate 
4-chlorophenylacetic acid 
4-heptanone 
4-hydroxylamino-2,6-dinitrotoluene 
4-isopropylbenzyl alcohol 
4-methoxy-17beta-estradiol +   
4-methylbenzyl alcohol 
4-methylpent-2-enoyl-CoA 
4-methylpentanoyl-CoA 
4-nitrobenzyl alcohol 
5(S),15(S)-DiHETE 
5(S),15(S)-DiHETE(1-) 
5,6-epoxyretinoic acid +  
5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate 
5,7-icosanedione 
5-hydroxybenzimidazole 
5-methoxyindole-3-acetic acid  
5-methyldihydrofolic acid 
6,8-icosanedione 
7-HETE 
7-methyl-3-oxooctanoyl-CoA 
7alpha-hydroxydehydroepiandrosterone 
7alpha-hydroxypregnenolone 
8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1  
8-epi-prostaglandin E2  
ACT-132577 +   
aflatoxin B1 endo-8,9-oxide 
aflatoxin B1 triol 
aflatoxin M1 8,9-epoxide 
all-trans-retinyl dodecanoate 
allocholic acid +  
allodeoxycholic acid +  
alpha-D-galactosyl-(1->4)-beta-D-galactosyl-N-(pentacosanoyl)sphingosine 
alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer 
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer +  
artemoin A 
artemoin B 
artemoin C 
artemoin D 
Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2 
asparagoside F 
bacterial xenobiotic metabolite +   
benzo[a]pyrene-7,8-dione  
benzo[c]phenanthren-1-ol 
benzo[c]phenanthren-2-ol 
benzo[c]phenanthren-3-ol 
benzoylhypaconine  
beta-(methylenecyclopropyl)pyruvic acid 
beta-D-galactosyl-(1->4)-beta-D-galactosyl-N-(pentacosanoyl)sphingosine 
beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer 
butanoyl-CoAs +   
chrysen-1-ol 
chrysen-2-ol 
chrysen-3-ol 
chrysen-4-ol 
chrysen-6-ol  
cohibin C 
cohibin D 
columbianadin 
cotinine N-oxide 
crosatoside B 
cyclodopa 5-beta-D-glucoside 
D-octopine 
DDD  
desmethylranitidine 
dihydroresveratrol +   
dihydroresveratrol glucuronide +  
dihydroresveratrol glucuronide sulfate 
dihydroresveratrol sulfate +  
dimethyl disulfide 
dimethylarsinic acid  
diphenylacetic acid  
E3040 glucuronide 
egonol beta-D-glucoside 
ergothioneine +   
ergothioneine thione form 
ferulic acid 4-sulfate 
fungal xenobiotic metabolite +   
guanidinoacetic acid 
hepoxilin A3 +  
HMBOA beta-D-glucoside 
human xenobiotic metabolite +   
hydroperoxy(hydroxy)icosapentaenoic acid +  
hydroperoxy(hydroxy)icosatetraenoic acid +  
hyocholate 
hyocholic acid +  
hypothiocyanous acid 
indan-2-one +  
indometacin +   
isoamylol +   
isobutyryl-CoA +   
isoheptadecanoyl-CoA 
isolithocholic acid 
isomyristoyl-CoA 
isomyristoyl-CoA(4-) 
isopalmitoyl-CoA 
isopentadecanoyl-CoA 
isotridecanoyl-CoA 
L-homoarginine 
leucomethylene blue 
leukotriene B5  
leukotriene C3 
leukotriene D3 
lithocholic acid 3-O-(beta-D-glucuronide) 
lugdunin 
marine xenobiotic metabolite +   
melamine +   
melamine(1+) 
methylbutanoyl-CoA +  
monobenzyl phthalate  
monocyclohexyl phthalate 
monoisodecyl phthalate 
monopentyl phthalate 
multi-methyl-branched fatty acyl-CoA +  
N-(2,6-diethylphenyl)-2-chloroacetamide  
N-[(11Z)-octadecenoyl]sphinganine-1-phosphocholine 
N-[(15Z)-tetracosenoyl]sphingosine 1-phosphate 
N-acetyl-L-aspartate(2-) +  
N-acetyl-L-aspartic acid +   
N-carbamoylglycine +  
N-ethyldiethanolamine 
N-ethylphenylacetamide 
N-hydroxy-MeIQx 
N-hydroxy-PhIP  
N-oleoylsphinganine-1-phosphocholine 
N-pentacosanoylsphingosine 
nitrosobenzene 
nociceptin  
nodakenetin +  
O-heptadecanoylcarnitine 
O-pentadecanoylcarnitine 
O-pivaloylcarnitine 
o-toluate 
o-toluic acid  
oleyl acetate 
oxidooxomethyl 
oxyphenbutazone +   
p-tolyl beta-D-glucuronide 
p-tolyl beta-D-glucuronide(1-) 
pelargonidin 3-O-sophoroside 
pent-2-enoyl-CoA +  
pentanoyl-CoA +  
pentanoyl-CoAs 
phosphatidylethanolamine 36:2 +  
phosphatidylethanolamine 37:2 
phosphatidylethanolamine 38:3 +  
phosphatidylethanolamine 38:4 +  
phosphatidylethanolamine 38:5 +  
pivalate ester +   
pivaloyl-CoA 
A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pivalic acid.
proglumide +  
propanoyl-CoAs +  
propyl propionate 
propynoic acid +  
prostaglandin B3 
rac-gamma-pentachlorocyclohexene 
raphanusamic acid 
resolvin D2  
resolvin E2 
resveratrol disulfate 
resveratrol glucuronide sulfate +  
resveratrol sulfate 
resveratrol-3-O-sulfate 
RH-24580 
riddelliine N-oxide 
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine 
S-propyl propanethiosulfinate 
short-chain (3S)-hydroxy fatty acyl-CoA 
somatostatin-28 
tauro-beta-muricholate 
tauro-beta-muricholic acid  
triadimenol 
tricin 7-O-beta-D-glucoside 
tridodecylamine 
Tyr-Met 

Synonyms
Exact Synonyms: 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(2,2-dimethylpropanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Related Synonyms: 2,2-dimethylpropanoyl-CoA ;   2,2-dimethylpropionyl-CoA ;   Formula=C26H44N7O17P3S ;   InChI=1S/C26H44N7O17P3S/c1-25(2,3)24(38)54-9-8-28-15(34)6-7-29-22(37)19(36)26(4,5)11-47-53(44,45)50-52(42,43)46-10-14-18(49-51(39,40)41)17(35)23(48-14)33-13-32-16-20(27)30-12-31-21(16)33/h12-14,17-19,23,35-36H,6-11H2,1-5H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,17-,18-,19+,23-/m1/s1 ;   InChIKey=FCMKBHDFOPWWQK-NDZSKPAWSA-N ;   SMILES=[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(C)(C)C)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O ;   pivalyl-CoA ;   pivalyl-coenzyme A
Xrefs: CAS:137415-16-8 "ChemIDplus" ;   PDBeChem:52O ;   PMID:12429869 "Europe PMC" ;   PMID:1891775 "Europe PMC" ;   PMID:22167181 "Europe PMC" ;   PMID:22803641 "Europe PMC" ;   PMID:25720495 "Europe PMC" ;   PMID:26134562 "Europe PMC" ;   Reaxys:22539663 "Reaxys"
Cyclic Relationships: is_conjugate_acid_of CHEBI:136712

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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.