CHEBI:11814 - 3-hydroxy-3-methylglutaryl-CoA

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ChEBI Name 3-hydroxy-3-methylglutaryl-CoA
ChEBI ID CHEBI:11814
Definition An α,ω dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 3-hydroxy-3-methylglutaric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H44N7O20P3S
Net Charge 0
Average Mass 911.66072
Monoisotopic Mass 911.15747
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-SJBCKIPMSA-N
SMILES CC(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
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814) has functional parent 3-hydroxy-3-methylglutaric acid (CHEBI:16831)
3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814) has functional parent glutaryl-CoA (CHEBI:15524)
3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814) is a ω-carboxyacyl-CoA (CHEBI:37555)
3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
Incoming (3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467) is a 3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814)
IUPAC Name
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}
Synonyms Sources
(4-carboxy-3-hydroxy-3-methylbutanoyl)-CoA ChEBI
(4-carboxy-3-hydroxy-3-methylbutanoyl)-coenzyme A ChEBI
3-hydroxy-3-methylglutaryl-coenzyme A ChEBI
Citations Waiting for Citations Types Sources
20640529 PubMed citation Europe PMC
9160173 PubMed citation Europe PMC
Last Modified
21 January 2016