CHEBI:87704 - 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA(4−)

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ChEBI Name 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA(4−) ChEBI ID CHEBI:87704 ChEBI ASCII Name 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA(4-) Definition An acyl-CoA(4−) arising from deprotonation of phosphate and diphosphate OH groups of 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C48H74N7O20P3S Net Charge -4 Average Mass 1194.125 Monoisotopic Mass 1193.39441 InChI 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)/p-4/t25-,26?,27+,28-,29-,30+,31+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1 InChIKey QWTJBRPOHKIMDT-MVFHLHSISA-J SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C(C)C(CC[C@]([C@@]4([C@]5(CC[C@@]6([C@]7(CC[C@H](C[C@]7(C[C@H]([C@]6([C@@]5(CC4)[H])[H])O)[H])O)C)[H])C)[H])(C)[H])=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O ChEBI Ontology Outgoing 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA(4−) (CHEBI:87704) is a steroidal acyl-CoA(4−) (CHEBI:131622) 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA(4−) (CHEBI:87704) is conjugate base of 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA (CHEBI:28533) Incoming 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA (CHEBI:28533) is conjugate acid of 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA(4−) (CHEBI:87704) Synonyms Sources 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA UniProt 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-coenzyme A(4−) ChEBI Citation Type Source 11146090 PubMed citation SUBMITTER Last Modified 19 May 2016