3-oxo-24-(isopropanoyl)-cholest-4,24-dien-26-oyl-CoA
Chemical Formula:
C51H73N7O20P3S
Molecular Weight:
1229.154 Daltons
Monoisotopic Mass:
1233.4235182022 Daltons
SMILES:
CC([CH]2(C3(CC[CH]4(C1(CCC(C=C1CC[CH]([CH](CC2)3)4)=O)C))(C)))CCC(=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)C(C([O-])=O)C
InChI:
1S/C51H78N7O20P3S/c1-27(34-12-13-35-33-11-9-30-22-31(59)14-17-50(30,6)36(33)15-18-51(34,35)7)8-10-32(28(2)47(64)65)29(3)48(66)82-21-20-53-38(60)16-19-54-45(63)42(62)49(4,5)24-75-81(72,73)78-80(70,71)74-23-37-41(77-79(67,68)69)40(61)46(76-37)58-26-57-39-43(52)55-25-56-44(39)58/h22,25-28,33-37,40-42,46,61-62H,8-21,23-24H2,1-7H3,(H,53,60)(H,54,63)(H,64,65)(H,70,71)(H,72,73)(H2,52,55,56)(H2,67,68,69)/p-5/b32-29-/t27-,28?,33+,34-,35+,36+,37-,40-,41-,42+,46-,50+,51-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-13799
PubChem (CID):
90658088
Seed:
cpd24050
MetaNetX:
MNXM10077