3-oxo-24-ethyl-cholest-4,24-dien-26-oyl-CoA

Chemical Formula:

C₅₀H₇₄N₇O₁₈P₃S

Molecular Weight:

1186.152 Daltons

Monoisotopic Mass:

1189.4336889580002 Daltons

SMILES:

CCC(CCC([CH]2(C3(CC[CH]4(C1(CCC(C=C1CC[CH]([CH](CC2)3)4)=O)C))(C)))C)=C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC5(C(OP([O-])(=O)[O-])C(O)C(O5)N7(C6(=C(C(N)=NC=N6)N=C7))))[O-])[O-])=O

InChI:

1S/C50H78N7O18P3S/c1-8-30(10-9-28(2)34-13-14-35-33-12-11-31-23-32(58)15-18-49(31,6)36(33)16-19-50(34,35)7)29(3)47(63)79-22-21-52-38(59)17-20-53-45(62)42(61)48(4,5)25-72-78(69,70)75-77(67,68)71-24-37-41(74-76(64,65)66)40(60)46(73-37)57-27-56-39-43(51)54-26-55-44(39)57/h23,26-28,33-37,40-42,46,60-61H,8-22,24-25H2,1-7H3,(H,52,59)(H,53,62)(H,67,68)(H,69,70)(H2,51,54,55)(H2,64,65,66)/p-4/b30-29+/t28-,33+,34-,35+,36+,37-,40-,41-,42+,46-,49+,50-/m1/s1

InChIKey:

ARNXOEVEQJXSEK-VVAMWYHRSA-J

Databases

MetaCyc: CPD-13797

PubChem (CID): 90657191

Seed: cpd24048

MetaNetX: MNXM10080