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CHEBI:76621 - (3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA

ChEBI IDCHEBI:76621
ChEBI Name(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA
Stars
ASCII Name(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoic acid.
Last Modified5 February 2019
SubmitterSteve
DownloadsMolfile
FormulaC59H102N7O18P3S
Net Charge0
Average Mass1322.485
Monoisotopic Mass1321.62149
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC[C@@H](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/C59H102N7O18P3S/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/h8-9,11-12,14-15,17-18,45-48,52-54,58,67,70-71H,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)/b9-8-,12-11-,15-14-,18-17-/t47-,48-,52-,53-,54+,58-/m1/s1
InChIKeyJVYBMQPWZSJJSQ-FNQBGYQWSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA (CHEBI:76621) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA (CHEBI:76621) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA (CHEBI:76621) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA (CHEBI:76621) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA (CHEBI:76621) is conjugate acid of (3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA(4−) (CHEBI:76440)
Incoming Relation(s)
(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA(4−) (CHEBI:76440) is conjugate base of (3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA (CHEBI:76621)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriaconta-23,26,29,32-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(R)-3-hydroxy-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoAChEBI
(R)-3-hydroxy-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-coenzyme AChEBI
(3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-coenzyme AChEBI