CHEBI:15519 - choloyl-CoA

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ChEBI Name choloyl-CoA ChEBI ID CHEBI:15519 Definition A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cholic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:37644, CHEBI:3671, CHEBI:13988 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 C45H74N7O20P3S Net Charge 0 Average Mass 1158.09152 Monoisotopic Mass 1157.39222 InChI InChI=1S/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t23-,24+,25-,26-,27+,28+,29-,30-,31+,34+,36-,37-,38+,42-,44+,45-/m1/s1 InChIKey ZKWNOTQHFKYUNU-JGCIYWTLSA-N SMILES [H][C@@](C)(CCC(=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])C[C@H](O)[C@]12C Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing choloyl-CoA (CHEBI:15519) has functional parent cholic acid (CHEBI:16359) choloyl-CoA (CHEBI:15519) is a choloyl-CoAs (CHEBI:23218) choloyl-CoA (CHEBI:15519) is conjugate acid of choloyl-CoA(4−) (CHEBI:57373) Incoming choloyl-CoA(4−) (CHEBI:57373) is conjugate base of choloyl-CoA (CHEBI:15519) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3α,7α,12α-trihydroxy-5β-cholan-24-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} Synonyms Sources 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA KEGG COMPOUND 3α,7α,12α-trihydroxy-5β-cholan-24-oyl-CoA ChEBI 3α,7α,12α-trihydroxy-5β-cholan-24-oyl-coenzyme A ChEBI 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA KEGG COMPOUND Choloyl-CoA KEGG COMPOUND choloyl-coenzyme A ChEBI cholyl-CoA ChEBI cholyl-coenzyme A ChEBI S-(3α,7α,12α-trihydroxy-5β-cholan-24-oyl)-CoA ChEBI Manual Xref Database C01794 KEGG COMPOUND View more database links Citations Types Sources 10706581 PubMed citation Europe PMC 10884298 PubMed citation Europe PMC 3741411 PubMed citation Europe PMC 6639941 PubMed citation Europe PMC 869918 PubMed citation Europe PMC Last Modified 28 July 2014