CHEBI:52966 - hexacosanoyl-CoA

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ChEBI Name hexacosanoyl-CoA ChEBI ID CHEBI:52966 Definition A very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of hexacosanoic (cerotic) acid.. Stars This entity has been manually annotated by the ChEBI Team. Submitter kieran 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 C47H86N7O17P3S Net Charge 0 Average Mass 1146.20900 Monoisotopic Mass 1145.50138 InChI InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/t36-,40-,41-,42+,46-/m1/s1 InChIKey FHLYYFPJDVYWQH-CPIGOPAHSA-N SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(=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 Metabolite of Species Details Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net 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): Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). View more via ChEBI Ontology ChEBI Ontology Outgoing hexacosanoyl-CoA (CHEBI:52966) has functional parent hexacosanoic acid (CHEBI:31009) hexacosanoyl-CoA (CHEBI:52966) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) hexacosanoyl-CoA (CHEBI:52966) is a very long-chain fatty acyl-CoA (CHEBI:61910) hexacosanoyl-CoA (CHEBI:52966) is conjugate acid of hexacosanoyl-CoA(4−) (CHEBI:64868) Incoming 3-oxohexacosanoyl-CoA (CHEBI:52977) has functional parent hexacosanoyl-CoA (CHEBI:52966) hexacosanoyl-CoA(4−) (CHEBI:64868) is conjugate base of hexacosanoyl-CoA (CHEBI:52966) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(hexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} Synonyms Sources C26:0-CoA ChEBI C26:0-coenzyme A ChEBI cerotoyl-CoA ChEBI cerotoyl-coenzyme A ChEBI hexacosanoyl-CoA (N-C26:0CoA) ChEBI hexacosanoyl-coenzyme A ChEBI Manual Xrefs Databases CPD1G-277 MetaCyc HMDB0006459 HMDB View more database links Registry Number Type Source 20717346 Reaxys Registry Number Reaxys Citations Types Sources 16946266 PubMed citation Europe PMC 1828148 PubMed citation Europe PMC 18287618 PubMed citation Europe PMC 8347139 PubMed citation Europe PMC Last Modified 21 January 2016