Term: | (2E,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA |
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Accession: | CHEBI:76667
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Definition: | An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid. |
Synonyms: | exact_synonym: | 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,21Z,24Z,27Z,30Z,33Z)-hexatriaconta-2,21,24,27,30,33-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| related_synonym: | (2E,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-coenzyme A; Formula=C57H94N7O17P3S; InChI=1S/C57H94N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-48(66)85-41-40-59-47(65)38-39-60-55(69)52(68)57(2,3)43-78-84(75,76)81-83(73,74)77-42-46-51(80-82(70,71)72)50(67)56(79-46)64-45-63-49-53(58)61-44-62-54(49)64/h5-6,8-9,11-12,14-15,17-18,36-37,44-46,50-52,56,67-68H,4,7,10,13,16,19-35,38-43H2,1-3H3,(H,59,65)(H,60,69)(H,73,74)(H,75,76)(H2,58,61,62)(H2,70,71,72)/b6-5-,9-8-,12-11-,15-14-,18-17-,37-36+/t46-,50-,51-,52+,56-/m1/s1; InChIKey=HCKSDWYBQHGZRR-IAZRHCADSA-N; SMILES=CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCCCCCCCCCCCCCCC\\C=C\\C(=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 |
| cyclic_relationship: | is_conjugate_acid_of CHEBI:76479 |
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