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CHEBI:74442 - (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA

ChEBI IDCHEBI:74442
ChEBI Name(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA
Stars
ASCII Name(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoic acid.
Last Modified5 February 2019
SubmitterSteve
DownloadsMolfile
FormulaC59H98N7O18P3S
Net Charge0
Average Mass1318.453
Monoisotopic Mass1317.59019
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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/C59H98N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-47(67)42-50(69)88-41-40-61-49(68)38-39-62-57(72)54(71)59(2,3)44-81-87(78,79)84-86(76,77)80-43-48-53(83-85(73,74)75)52(70)58(82-48)66-46-65-51-55(60)63-45-64-56(51)66/h5-6,8-9,11-12,14-15,17-18,45-46,48,52-54,58,70-71H,4,7,10,13,16,19-44H2,1-3H3,(H,61,68)(H,62,72)(H,76,77)(H,78,79)(H2,60,63,64)(H2,73,74,75)/b6-5-,9-8-,12-11-,15-14-,18-17-/t48-,52-,53-,54+,58-/m1/s1
InChIKeyZEEUUVSXEIWXBC-YGXFSRDHSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA (CHEBI:74442) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA (CHEBI:74442) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA (CHEBI:74442) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA (CHEBI:74442) is conjugate acid of (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4−) (CHEBI:74263)
Incoming Relation(s)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4−) (CHEBI:74263) is conjugate base of (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA (CHEBI:74442)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriaconta-23,26,29,32,35-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
23cis,26cis,29cis,32cis,35cis-3-oxooctatriacontapentaenoyl-CoAChEBI
(23Z,26Z,29Z,32Z,35Z)-3-ketooctatriacontapentaenoyl-coenzyme AChEBI
3-oxo-C38:5(ω-3)-CoAChEBI
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-coenzyme AChEBI
23cis,26cis,29cis,32cis,35cis-3-oxooctatriacontapentaenoyl-coenzyme AChEBI
(23Z,26Z,29Z,32Z,35Z)-3-ketooctatriacontapentaenoyl-CoAChEBI