3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestanoyl-CoA

InChI: InChI=1/C49H80N7O20P3S/c1-26(29-9-10-30-36-31(13-15-48(29,30)6)49(7)16-12-28(57)20-47(49,5)21-33(36)59)8-11-32(58)27(2)45(64)80-19-18-51-35(60)14-17-52-43(63)40(62)46(3,4)23-73-79(70,71)76-78(68,69)72-22-34-39(75-77(65,66)67)38(61)44(74-34)56-25-55-37-41(50)53-24-54-42(37)56/h24-31,33-34,36,38-40,44,57,59,61-62H,8-23H2,1-7H3,(H,51,60)(H,52,63)(H,68,69)(H,70,71)(H2,50,53,54)(H2,65,66,67)/t26-,27?,28-,29-,30+,31+,33-,34-,36+,38-,39-,40+,44-,47+,48-,49-/m1/s1/f/h51-52,65-66,68,70H,50H2

InChIKey: InChIKey=HQRXFNVEAIMCQZ-NLYRCXPSDW
SMILES: [H][C@@](C)(CCC(=O)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])CC[C@]45C

Names:
    3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestanoyl-CoA
    3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA

Registries:
    PubChem CID 440676
    ChEBI 28533
    Kegg C05449
    PubChem ID 7811