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CHEBI:760773 - (3S)-3-hydroxy-3-methylglutaryl-dephospho-CoA(3-)

Default Structure
ChEBI IDCHEBI:760773
ChEBI Name(3S)-3-hydroxy-3-methylglutaryl-dephospho-CoA(3-)
Stars
Last Modified21 August 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H40N7O17P2S
Net Charge-3
Average Mass828.664
Monoisotopic Mass828.16931
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](C)(O)CC(=O)[O-]
InChIInChI=1S/C27H43N7O17P2S/c1-26(2,21(41)24(42)30-5-4-15(35)29-6-7-54-17(38)9-27(3,43)8-16(36)37)11-49-53(46,47)51-52(44,45)48-10-14-19(39)20(40)25(50-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-41,43H,4-11H2,1-3H3,(H,29,35)(H,30,42)(H,36,37)(H,44,45)(H,46,47)(H2,28,31,32)/p-3/t14-,19-,20-,21+,25-,27+/m1/s1
InChIKeyAPSLAFRYDYSCBD-VRHQGPGLSA-K
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-hydroxy-3-methylglutaryl-dephospho-CoA(3-) (CHEBI:760773) has functional parent 3'-dephospho-CoA(2−) (CHEBI:57328)
(3S)-3-hydroxy-3-methylglutaryl-dephospho-CoA(3-) (CHEBI:760773) is a organophosphate oxoanion (CHEBI:58945)
UniProt Name  Source
(3S)-3-hydroxy-3-methylglutaryl-3'-dephospho-CoAUniProt