2-Methyl-3-acetoacetyl-CoA

InChI: InChI=1/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13?,15-,18-,19-,20+,24-/m1/s1/f/h28-29,40-41,43,45H,27H2

InChIKey: InChIKey=NHNODHRSCRALBF-APPPIIQKDX
SMILES: CC(C(C)=O)C(=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)n2cnc3c(N)ncnc23

Names:
    2-Methylacetoacetyl-CoA
    2-methylacetoacetyl-CoA
    2-Methylacetoacetyl-CoA
    2-methylacetoacetyl-CoA
    2-Methyl-3-acetoacetyl-CoA
    2-methyl-3-acetoacetyl-CoA
    2-Methyl-3-acetoacetyl-CoA

Registries:
    PubChem CID 439985
    ChEBI 15476
    Kegg C03344
    PubChem ID 6187