(S)-3-hydroxy-3-methylglutaryl-CoA

(<i>S</i>)-3-hydroxy-3-methylglutaryl-CoA




Chemical Formula:
C27H39N7O20P3S
Molecular Weight:
906.621 Daltons
Monoisotopic Mass:
911.1574671108 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)CC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
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

Synonyms
  • 3-hydroxy-3-methyl-glutaryl-CoA
  • hydroxymethylglutaryl-CoA
  • 3-hydroxy-3-methylglutaryl-coenzyme A
  • 3-Hydroxy-3-methylglutaryl-CoA
  • HMG-CoA

Databases
MetaCyc:  3-HYDROXY-3-METHYL-GLUTARYL-COA
PubChem (CID):  5288565
HMDB:  HMDB01375
ChEBI:  43074 15467
KEGG:  C00356
CAS:  1553-55-5
Seed:  cpd00292
MetaNetX:  MNXM197
CHEMBL:  CHEMBL1794644
LIPID MAPS:  LMFA07050209
KNApSAcK:  C00007270
PDB-CCD:  HMG
PupChem (SID):  3649