CHEBI:63548 - (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA

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ChEBI Name (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA ChEBI ID CHEBI:63548 ChEBI ASCII Name (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-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 (9Z,12Z,15Z,18Z)-tetracosatetraenoic acid. It is a member of the n-6 PUFA and is the product of linoleic 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 C45H74N7O17P3S Net Charge 0 Average Mass 1110.09200 Monoisotopic Mass 1109.40748 InChI InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1 InChIKey OKOXEYTYHDPTEW-GJYKHRJNSA-N SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(=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 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 (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA (CHEBI:63548) has functional parent (9Z,12Z,15Z,18Z)-tetracosatetraenoic acid (CHEBI:77526) (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA (CHEBI:63548) is a unsaturated fatty acyl-CoA (CHEBI:51006) (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA (CHEBI:63548) is a very long-chain fatty acyl-CoA (CHEBI:61910) (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA (CHEBI:63548) is conjugate acid of (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−) (CHEBI:74087) Incoming (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−) (CHEBI:74087) is conjugate base of (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA (CHEBI:63548) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate} Synonyms Sources 24:4(n-6) SUBMITTER 9Z,12Z,15Z,18Z-Tetracosatetraenoyl-CoA KEGG COMPOUND all-cis-9,12,15,18-tetracosatetraenoyl-CoA ChEBI tetracosatetraenoyl-CoA SUBMITTER Manual Xref Database C16171 KEGG COMPOUND View more database links Last Modified 26 February 2014