CHEBI:74525 - (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA

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ChEBI Name (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA
ChEBI ID CHEBI:74525
ChEBI ASCII Name (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-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 (21Z,24Z,27Z,30Z)-hexatriacontatetraenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C57H98N7O17P3S
Net Charge 0
Average Mass 1278.41100
Monoisotopic Mass 1277.59528
InChI InChI=1S/C57H98N7O17P3S/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/h8-9,11-12,14-15,17-18,44-46,50-52,56,67-68H,4-7,10,13,16,19-43H2,1-3H3,(H,59,65)(H,60,69)(H,73,74)(H,75,76)(H2,58,61,62)(H2,70,71,72)/b9-8-,12-11-,15-14-,18-17-/t46-,50-,51-,52+,56-/m1/s1
InChIKey FLEXVBLUUFFABO-GEMDTXPYSA-N
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=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 (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA (CHEBI:74525) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA (CHEBI:74525) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA (CHEBI:74525) is conjugate acid of (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−) (CHEBI:74293)
Incoming (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4−) (CHEBI:74293) is conjugate base of (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA (CHEBI:74525)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(21Z,24Z,27Z,30Z)-3-oxohexatriaconta-21,24,27,30-tetraenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-coenzyme A ChEBI
C36:4(ω-6)-CoA ChEBI
Last Modified
05 February 2019