Molecule: 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA
A cholestanoyl-CoA formed by thioester linkage between 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oic acid and coenzyme A.
Synonyms for 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA :
3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA
3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-coenzyme A
Molecular Formula: C48H78N7O20P3S
Molecular wt: 1198.15400 g/mole
Charge: 0
SMILES: [H][C@@](C)(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
InChIKey: QWTJBRPOHKIMDT-MVFHLHSISA-N
InChI=1S/C48H78N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-31,33-34,36,38-40,44,56,58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26?,27+,28-,29-,30+,31+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1
Sample reactions for this molecule: