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 No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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) 3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814) is conjugate acid of 3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:232067) Incoming (3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467) is a 3-hydroxy-3-methylglutaryl-CoA (CHEBI:11814) 3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:232067) is conjugate base of 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 Types Sources 20640529 PubMed citation Europe PMC 9160173 PubMed citation Europe PMC Last Modified 21 January 2016