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(3S)-3-hydroxy-3-methylglutaryl-CoA

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1104235 Image of MNXM1104235 Image of MNXM1104235
#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 27
formulaC27H39N7O20P3S
charge-5
mass906.617
referencechebi:43074
InChIKeyCABVTRNMFUVUDM-VRHQGPGLSA-I
InChIInChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1
SMILES[CH3:1][C:26]([CH3:2])([CH2:11][O:51][P:57]([OH:48])(=[O:49])[O:54][P:56]([OH:46])(=[O:47])[O:50][CH2:10][C@@H:14]1[C@@H:20]([O:53][P:55]([OH:43])([OH:44])=[O:45])[C@@H:19]([OH:39])[C@H:25]([n:34]2[cH:13][n:33][c:18]3[c:22]([NH2:28])[n:31][cH:12][n:32][c:23]32)[O:52]1)[C@H:21]([C:24](=[N:30][CH2:5][CH2:4][C:15](=[N:29][CH2:6][CH2:7][S:58][C:17]([CH2:9][C@:27]([CH3:3])([CH2:8][C:16](=[O:36])[OH:37])[OH:42])=[O:38])[OH:35])[OH:41])[OH:40]
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Similar chemical compounds in external resources
IdentifierDescription
reactome:R-ALL-191374
reactomeM:R-ALL-191374
reactome:R-ALL-70784
reactomeM:R-ALL-70784
CHEBI:43074
chebi:43074 		(3S)-3-hydroxy-3-methylglutaryl-CoA
(3S)-3-hydroxy-3-methylglutaryl-CoA(5-)
3-HYDROXY-3-METHYLGLUTARYL-COENZYME A
reactome:R-ALL-73917
reactomeM:R-ALL-73917
CHEBI:15467
chebi:15467 		(3S)-3-hydroxy-3-methylglutaryl-CoA
(3S)-3-hydroxy-3-methylglutaryl-coenzyme A
(S)-3-Hydroxy-3-methylglutaryl-CoA
(S)-3-hydroxy-3-methylglutaryl-CoA
(S)-3-hydroxy-3-methylglutaryl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-Hydroxy-3-methylglutaryl-CoA
HMG-CoA
HMG-coenzyme A
Hydroxymethylglutaroyl coenzyme A
Hydroxymethylglutaryl-CoA
lipidmaps:LMFA07050116
lipidmapsM:LMFA07050116 		(3S)-3-hydroxy-3-methylglutaryl-CoA
(S)-3-hydroxy-3-methylglutaryl-coenzyme A
3S-hydroxy-3-methyl-5-carboxypentanoyl-CoA
CoA 6:1
HMG-coenzyme A
O3
kegg.compound:C00356
keggC:C00356 		(S)-3-Hydroxy-3-methylglutaryl-CoA
3-Hydroxy-3-methylglutaryl-CoA
HMG-CoA
Hydroxymethylglutaroyl coenzyme A
Hydroxymethylglutaryl-CoA
SLM:000000299
slm:000000299 		(S)-3-hydroxy-3-methylglutaryl-CoA
metacyc.compound:3-HYDROXY-3-METHYL-GLUTARYL-COA
metacycM:3-HYDROXY-3-METHYL-GLUTARYL-COA 		(S)-3-hydroxy-3-methylglutaryl-CoA
3-hydroxy-3-methyl-glutaryl-CoA
3-hydroxy-3-methylglutaryl-CoA
3-hydroxy-3-methylglutaryl-coenzyme A
Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate)
DL-3-hydroxyl-3MthhygluCOA
HMG-CoA
hydroxymethylglutaryl-CoA
hmdb:HMDB0001375 3-Hydroxy-3-methylglutaryl-CoA
(3S)-3-Hydroxy-3-methylglutaryl-CoA
(3S)-3-Hydroxy-3-methylglutaryl-coenzyme A
(3S)-5-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid
(S)-3-Hydroxy-3-methylglutaryl coenzyme A
(S)-3-Hydroxy-3-methylglutaryl-CoA
(S)-3-Hydroxy-3-methylglutaryl-coenzyme A
3-Hydroxy-3-methylglutaryl CoA
3-Hydroxy-3-methylglutaryl coenzyme A
HMG-CoA
HMG-coenzyme A
Hydroxymethylglutaroyl coenzyme A
Hydroxymethylglutaryl CoA
Hydroxymethylglutaryl coenzyme A
Hydroxymethylglutaryl-CoA
beta-Hydroxy-beta-methylglutaryl CoA
beta-Hydroxy-beta-methylglutaryl-CoA
beta-Hydroxy-beta-methylglutaryl-coenzyme A
beta-hydroxy-beta-methylglutaryl CoA
beta-hydroxy-beta-methylglutaryl-CoA
beta-hydroxy-beta-methylglutaryl-coenzyme A
sabiork.compound:2029
sabiorkM:2029 		3-Hydroxy-3-methylglutaryl-CoA
(S)-3-Hydroxy-3-methylglutaryl-CoA
HMG-CoA
Hydroxymethylglutaroyl coenzyme A
Hydroxymethylglutaryl-CoA
CHEBI:11814
chebi:11814 		3-hydroxy-3-methylglutaryl-CoA
(4-carboxy-3-hydroxy-3-methylbutanoyl)-CoA
(4-carboxy-3-hydroxy-3-methylbutanoyl)-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-hydroxy-3-methylglutaryl-coenzyme A
lipidmaps:LMFA07050209
lipidmapsM:LMFA07050209 		3-hydroxy-3-methylglutaryl-CoA
(4-carboxy-3-hydroxy-3-methylbutanoyl)-CoA
(4-carboxy-3-hydroxy-3-methylbutanoyl)-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-hydroxy-3-methylglutaryl-coenzyme A
CoA 6:1
O3
CHEBI:232067
chebi:232067 		3-hydroxy-3-methylglutaryl-CoA
3-hydroxy-3-methylglutaryl-CoA(5-)
seed.compound:cpd00292
seedM:cpd00292 		HMG-CoA
(S)-3-Hydroxy-3-methylglutaryl-CoA
(S)-3-hydroxy-3-methylglutaryl-CoA
3-Hydroxy-3-methylglutaryl-CoA
3-hydroxy-3-methyl-glutaryl-CoA
3-hydroxy-3-methylglutaryl-coenzyme A
Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate)
Hydroxymethylglutaroyl coenzyme A
Hydroxymethylglutaryl-CoA
hmgcoa
hydroxymethylglutaryl-CoA
hmdb:HMDB0253193 HMG-CoA
5-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-3-hydroxy-3-methyl-5-oxopentanoate
5-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulphanyl)-3-hydroxy-3-methyl-5-oxopentanoate
5-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulphanyl)-3-hydroxy-3-methyl-5-oxopentanoic acid
5-{[2-(3-{3-[({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-3-hydroxy-3-methyl-5-oxopentanoic acid
bigg.metabolite:hmgcoa
biggM:hmgcoa 		Hydroxymethylglutaryl CoA
vmhM:hmgcoa
vmhM:hmgcoa
vmhmetabolite:hmgcoa
vmhmetabolite:hmgcoa 		Hydroxymethylglutaryl-CoA
(3S)-5-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3
hmdb:HMDB01375
chebi:11045
chebi:18747
chebi:392
chebi:61659
biggM:M_hmgcoa
keggC:M_C00356
seedM:M_cpd00292 		secondary/obsolete/fantasy identifier