3alpha,7alpha,12alpha,24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA


InChI: InChI=1/C49H82N7O21P3S/c1-25(28-9-10-29-36-30(18-34(60)49(28,29)7)48(6)14-12-27(57)19-47(48,5)20-32(36)59)8-11-31(58)26(2)45(65)81-17-16-51-35(61)13-15-52-43(64)40(63)46(3,4)22-74-80(71,72)77-79(69,70)73-21-33-39(76-78(66,67)68)38(62)44(75-33)56-24-55-37-41(50)53-23-54-42(37)56/h23-34,36,38-40,44,57-60,62-63H,8-22H2,1-7H3,(H,51,61)(H,52,64)(H,69,70)(H,71,72)(H2,50,53,54)(H2,66,67,68)/t25-,26?,27-,28-,29+,30+,31?,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-,49-/m1/s1/f/h51-52,66-67,69,71H,50H2

InChIKey: InChIKey=URAABRPYPJOERR-PTDVTBSQDM
SMILES: [H][[email protected]@](C)(CCC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)[[email protected]](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[[email protected]]1O[[email protected]]([[email protected]](O)[[email protected]@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)[[email protected]@]4([H])CC[[email protected]@]5([H])[[email protected]]6([H])[[email protected]](O)C[[email protected]]7(C)C[[email protected]](O)CC[[email protected]]7(C)[[email protected]@]6([H])C[[email protected]](O)[[email protected]]45C

Names:
    3alpha,7alpha,12alpha,24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA
    3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA
    3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl-CoA

Registries:
    PubChem CID 440677
    ChEBI 27458
    Kegg C05450
    PubChem ID 7812