delta2,5-3,4,4-trimethylpimelyl-CoA

InChI: InChI=1/C31H48N7O19P3S/c1-17(30(2,3)8-6-20(40)41)12-21(42)61-11-10-33-19(39)7-9-34-28(45)25(44)31(4,5)14-54-60(51,52)57-59(49,50)53-13-18-24(56-58(46,47)48)23(43)29(55-18)38-16-37-22-26(32)35-15-36-27(22)38/h6,8,12,15-16,18,23-25,29,43-44H,7,9-11,13-14H2,1-5H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18-,23-,24-,25+,29-/m1/s1/f/h33-34,40,46-47,49,51H,32H2

InChIKey: InChIKey=DEQKKPDRDCEPQL-UACJGMJGDX
SMILES: CC(=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)n2cnc3c(N)ncnc23)C(C)(C)C=CC(O)=O

Names:
    delta2,5-3,4,4-trimethylpimelyl-CoA
    Δ2,5-3,4,4-trimethylpimeloyl-CoA
    3,4,4-trimethylhepta-2,5-dienyl-CoA

Registries:
    PubChem CID 11966273
    ChEBI 23608
    UM-BBD c0412