3,24-dioxocholest-4-en-26-oyl-CoA

Chemical Formula:

C₄₈H₇₀N₇O₁₉P₃S

Molecular Weight:

1174.098 Daltons

Monoisotopic Mass:

1177.3973034517003 Daltons

SMILES:

CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))

InChI:

1S/C48H74N7O19P3S/c1-26(31-10-11-32-30-9-8-28-21-29(56)13-16-47(28,5)33(30)14-17-48(31,32)6)7-12-34(57)27(2)45(62)78-20-19-50-36(58)15-18-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-35-39(73-75(63,64)65)38(59)44(72-35)55-25-54-37-41(49)52-24-53-42(37)55/h21,24-27,30-33,35,38-40,44,59-60H,7-20,22-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-4/t26-,27?,30+,31-,32+,33+,35-,38-,39-,40+,44-,47+,48-/m1/s1

InChIKey:

ZVFUUGBGZMBUAN-KZNRQMKSSA-J

Synonyms

cholest-4-en--3,24,dione-26-oyl-CoA

Databases

MetaCyc: CPD-13695

PubChem (CID): 102515485

Seed: cpd24001

MetaNetX: MNXM8088