CHEBI:15467 - (3S)-3-hydroxy-3-methylglutaryl-CoA

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ChEBI Name (3S)-3-hydroxy-3-methylglutaryl-CoA
ChEBI ID CHEBI:15467
ChEBI ASCII Name (3S)-3-hydroxy-3-methylglutaryl-CoA
Definition A 3-hydroxy-3-methylglutaryl-CoA where the 3-hydroxy-3-methylglutaryl component has (S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:61659, CHEBI:392, CHEBI:11045, CHEBI:18747
Supplier Information
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Formula C27H44N7O20P3S
Net Charge 0
Average Mass 911.66072
InChI InChI=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)/t14-,19-,20-,21+,25-,27+/m1/s1
InChIKey CABVTRNMFUVUDM-VRHQGPGLSA-N
SMILES C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via acyl-CoA )
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via 3-hydroxy-3-methylglutaryl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467) has role human metabolite (CHEBI:77746)
(3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467) has role mouse metabolite (CHEBI:75771)
(3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467) is a 3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814)
(3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467) is conjugate acid of (3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074)
Incoming (3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074) is conjugate base of (3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467)
IUPAC Name
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}
Synonyms Sources
(3S)-3-hydroxy-3-methylglutaryl-coenzyme A ChEBI
(S)-3-Hydroxy-3-methylglutaryl-CoA KEGG COMPOUND
(S)-3-hydroxy-3-methylglutaryl-CoA KEGG COMPOUND
(S)-3-hydroxy-3-methylglutaryl-coenzyme A ChEBI
3-Hydroxy-3-methylglutaryl-CoA KEGG COMPOUND
HMG-CoA KEGG COMPOUND
HMG-coenzyme A ChEBI
Hydroxymethylglutaroyl coenzyme A KEGG COMPOUND
Hydroxymethylglutaryl-CoA KEGG COMPOUND
Database Links Databases
C00007270 KNApSAcK
C00356 KEGG COMPOUND
HMG PDBeChem
View more database links
Registry Number Type Source
1553-55-5 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
20640529 PubMed citation CiteXplore
4052443 PubMed citation CiteXplore
6135457 PubMed citation CiteXplore
9160173 PubMed citation CiteXplore
Last Modified
27 January 2016