CHEBI:27979 - all-cis-icosa-8,11,14-trienoyl-CoA

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ChEBI Name all-cis-icosa-8,11,14-trienoyl-CoA ChEBI ID CHEBI:27979 ChEBI ASCII Name all-cis-icosa-8,11,14-trienoyl-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 all-cis-icosa-8,11,14-trienoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:2300, CHEBI:20806 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 C41H68N7O17P3S Net Charge 0 Average Mass 1056.00288 Monoisotopic Mass 1055.36053 InChI InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,28-30,34-36,40,51-52H,4-7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1 InChIKey FJWJALRUNNZIBB-DDQUOPDJSA-N SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=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 Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486) all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) has role human metabolite (CHEBI:77746) all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) is a long-chain fatty acyl-CoA (CHEBI:33184) all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) is a unsaturated fatty acyl-CoA (CHEBI:51006) all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) is conjugate acid of (8Z,11Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:74264) Incoming (8Z,11Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:74264) is conjugate base of all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (8Z,11Z,14Z)-eicosatrienoyl-coenzyme A ChEBI (8Z,11Z,14Z)-Icosatrienoyl-CoA KEGG COMPOUND 8,11,14-Eicosatrienoyl-CoA KEGG COMPOUND 8,11,14-Icosatrienoyl-CoA KEGG COMPOUND 8Z,11Z,14Z-eicosatrienoyl-CoA LIPID MAPS 8Z,11Z,14Z-icosatrienoyl-CoA ChEBI all-cis-eicosa-8,11,14-trienoyl-CoA ChEBI all-cis-eicosa-8,11,14-trienoyl-coenzyme A ChEBI all-cis-icosa-8,11,14-trienoyl-CoA ChEBI all-cis-icosa-8,11,14-trienoyl-coenzyme A ChEBI CoA[20:3(8Z,11Z,14Z)] LIPID MAPS Manual Xrefs Databases C03595 KEGG COMPOUND HMDB0003947 HMDB LMFA07050011 LIPID MAPS View more database links Citation Type Source 3426550 PubMed citation Europe PMC Last Modified 04 August 2014