CHEBI:65132 - (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA

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ChEBI Name (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA ChEBI ID CHEBI:65132 ChEBI ASCII Name (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. It is a member of n-3 PUFA and a product of α-linolenoic acid metabolism. Stars This entity has been manually annotated by the ChEBI Team. Submitter Phani Vijay Garapati 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 C43H66N7O17P3S Net Charge 0 Average Mass 1078.00700 Monoisotopic Mass 1077.34488 InChI InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1 InChIKey MENFZXMQSYYVRK-CRCGJGBYSA-N SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\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 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 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). View more via ChEBI Ontology ChEBI Ontology Outgoing (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (CHEBI:65132) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (CHEBI:65132) has role mouse metabolite (CHEBI:75771) (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (CHEBI:65132) is a long-chain fatty acyl-CoA (CHEBI:33184) (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (CHEBI:65132) is a unsaturated fatty acyl-CoA (CHEBI:51006) (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (CHEBI:65132) is conjugate acid of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4−) (CHEBI:74298) Incoming (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4−) (CHEBI:74298) is conjugate base of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (CHEBI:65132) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-CoA ChEBI (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl-coenzyme A ChEBI (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A ChEBI 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-CoA ChEBI 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl-coenzyme A ChEBI CoA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) LIPID MAPS DHA-CoA SUBMITTER Manual Xrefs Databases C16169 KEGG COMPOUND LMFA07050050 LIPID MAPS View more database links Citations Types Sources 10574660 PubMed citation Europe PMC 12897190 PubMed citation Europe PMC 1971706 PubMed citation Europe PMC 20026368 PubMed citation Europe PMC 21184843 PubMed citation Europe PMC 7836869 PubMed citation Europe PMC 9548590 PubMed citation Europe PMC Last Modified 27 January 2016