3-oxo-24-ethyl-cholest-4-en-26-oyl-CoA
Chemical Formula:
C50H76N7O18P3S
Molecular Weight:
1188.168 Daltons
Monoisotopic Mass:
1191.4493390222 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/C50H80N7O18P3S/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/h23,26-30,33-37,40-42,46,60-61H,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/t28-,29?,30-,33+,34-,35+,36+,37-,40-,41-,42+,46-,49+,50-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-13802
PubChem (CID):
102515314
Seed:
cpd24053
MetaNetX:
MNXM10082