Compound Details

 Compound-ID 2029
 Common Name 3-Hydroxy-3-methylglutaryl-CoA
 Synonyms (S)-3-Hydroxy-3-methylglutaryl-CoA
Hydroxymethylglutaryl-CoA
Hydroxymethylglutaroyl coenzyme A
HMG-CoA
 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
 SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1(OP(O)(O)=O))n3cnc2c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)CC(O)=O
 External Links
 KEGG-COMPOUND-ID C00356
 PUBCHEM-ID 3649
 ChEBI-ID 11814
15467
 METANETX-ID MNXM732191
 BioModels 11814
15467


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