CHEBI:43074 - (3S)-3-hydroxy-3-methylglutaryl-CoA(5−)

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ChEBI Name (3S)-3-hydroxy-3-methylglutaryl-CoA(5−)
ChEBI ID CHEBI:43074
ChEBI ASCII Name (3S)-3-hydroxy-3-methylglutaryl-CoA(5-)
Definition An acyl-CoA oxoanion that results from the removal of all five protons from the phosphate and carboxylic acid groups of (3S)-3-hydroxy-3-methylglutaryl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H39N7O20P3S
Net Charge -5
Average Mass 906.62000
Monoisotopic Mass 906.118
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)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1
InChIKey CABVTRNMFUVUDM-VRHQGPGLSA-I
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
ChEBI Ontology
Outgoing (3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074) is a acyl-CoA oxoanion (CHEBI:58946)
(3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074) is a carboxylic acid anion (CHEBI:29067)
(3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074) is conjugate base of (3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467)
Incoming (3S)-3-hydroxy-3-methylglutaryl-CoA (CHEBI:15467) is conjugate acid of (3S)-3-hydroxy-3-methylglutaryl-CoA(5−) (CHEBI:43074)
Synonyms Sources
(3S)-hydroxy-3-methylglutaryl-CoA UniProt
3-HYDROXY-3-METHYLGLUTARYL-COENZYME A PDBeChem
Manual Xrefs Databases
3-HYDROXY-3-METHYL-GLUTARYL-COA MetaCyc
HMG PDBeChem
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Last Modified
28 April 2017