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CHEBI:74431 - (21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA

ChEBI IDCHEBI:74431
ChEBI Name(21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA
Stars
ASCII Name(21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA
DefinitionAn 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,33Z)-3-oxohexatriacontapentaenoic acid.
Last Modified5 February 2019
SubmitterSteve
DownloadsMolfile
FormulaC57H94N7O18P3S
Net Charge0
Average Mass1290.399
Monoisotopic Mass1289.55889
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C57H94N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-45(65)40-48(67)86-39-38-59-47(66)36-37-60-55(70)52(69)57(2,3)42-79-85(76,77)82-84(74,75)78-41-46-51(81-83(71,72)73)50(68)56(80-46)64-44-63-49-53(58)61-43-62-54(49)64/h5-6,8-9,11-12,14-15,17-18,43-44,46,50-52,56,68-69H,4,7,10,13,16,19-42H2,1-3H3,(H,59,66)(H,60,70)(H,74,75)(H,76,77)(H2,58,61,62)(H2,71,72,73)/b6-5-,9-8-,12-11-,15-14-,18-17-/t46-,50-,51-,52+,56-/m1/s1
InChIKeyKBBHZGUAXMCNED-WHAHIZGXSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA (CHEBI:74431) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA (CHEBI:74431) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA (CHEBI:74431) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA (CHEBI:74431) is conjugate acid of (21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA(4−) (CHEBI:74261)
Incoming Relation(s)
(21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA(4−) (CHEBI:74261) is conjugate base of (21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA (CHEBI:74431)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(21Z,24Z,27Z,30Z,33Z)-3-oxohexatriaconta-21,24,27,30,33-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-coenzyme AChEBI
21cis,24cis,27cis,30cis,33cis-3-oxohexatriacontapentaenoyl-CoAChEBI
(21Z,24Z,27Z,30Z,33Z)-3-ketohexatriacontapentaenoyl-coenzyme AChEBI
(21Z,24Z,27Z,30Z,33Z)-3-ketohexatriacontapentaenoyl-CoAChEBI
21cis,24cis,27cis,30cis,33cis-3-oxohexatriacontapentaenoyl-coenzyme AChEBI
3-oxo-C36:5(ω-3)-CoAChEBI