3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA

InChI: InChI=1/C49H80N7O20P3S/c1-26(29-11-12-30-36-31(19-34(59)49(29,30)7)48(6)15-13-28(57)20-47(48,5)21-32(36)58)9-8-10-27(2)45(64)80-18-17-51-35(60)14-16-52-43(63)40(62)46(3,4)23-73-79(70,71)76-78(68,69)72-22-33-39(75-77(65,66)67)38(61)44(74-33)56-25-55-37-41(50)53-24-54-42(37)56/h10,24-26,28-34,36,38-40,44,57-59,61-62H,8-9,11-23H2,1-7H3,(H,51,60)(H,52,63)(H,68,69)(H,70,71)(H2,50,53,54)(H2,65,66,67)/t26-,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-,49-/m1/s1/f/h51-52,65-66,68,70H,50H2

InChIKey: InChIKey=LWARPGFSGFYXRE-QTRYGELTDR
SMILES: [H][C@@](C)(CCC=C(C)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)[C@@]4([H])CC[C@@]5([H])[C@]6([H])[C@H](O)C[C@]7(C)C[C@H](O)CC[C@]7(C)[C@@]6([H])C[C@H](O)[C@]45C

Names:
    3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA
    3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA

Registries:
    PubChem CID 5280797
    ChEBI 27505
    Kegg C05460
    PubChem ID 7820