CHEBI:28533 - 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA

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ChEBI Name 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA ChEBI ID CHEBI:28533 ChEBI ASCII Name 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA Definition A cholestanoyl-CoA formed by thioester linkage between 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oic acid and coenzyme A. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1704, CHEBI:20229 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 C48H78N7O20P3S Net Charge 0 Average Mass 1198.15400 Monoisotopic Mass 1197.42352 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)/t25-,26?,27+,28-,29-,30+,31+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1 InChIKey QWTJBRPOHKIMDT-MVFHLHSISA-N 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 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA (CHEBI:28533) has role human metabolite (CHEBI:77746) 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA (CHEBI:28533) has role mouse metabolite (CHEBI:75771) 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-CoA (CHEBI:28533) is a cholestanoyl-CoA (CHEBI:23197) 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) Incoming 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) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 3α,7α-dihydroxy-24-oxo-5β-cholestan-26-oyl-coenzyme A ChEBI 3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA KEGG COMPOUND Manual Xref Database C05449 KEGG COMPOUND View more database links Citation Type Source 11146090 PubMed citation Europe PMC Last Modified 27 January 2016