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CHEBI:82746 - (9Z,12Z)-pentadecadienoyl-CoA

ChEBI IDCHEBI:82746
ChEBI Name(9Z,12Z)-pentadecadienoyl-CoA
Stars
ASCII Name(9Z,12Z)-pentadecadienoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z)-pentadecadienoic acid.
Last Modified19 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC36H60N7O17P3S
Net Charge0
Average Mass987.897
Monoisotopic Mass987.29792
SMILESCC/C=C\C/C=C\CCCCCCCC(=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/C36H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h5-6,8-9,23-25,29-31,35,46-47H,4,7,10-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b6-5-,9-8-/t25-,29-,30-,31+,35-/m1/s1
InChIKeyVMSIJBGASRPFNJ-RIVUYYTISA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z)-pentadecadienoyl-CoA (CHEBI:82746) is a long-chain fatty acyl-CoA (CHEBI:33184)
(9Z,12Z)-pentadecadienoyl-CoA (CHEBI:82746) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(9Z,12Z)-pentadecadienoyl-CoA (CHEBI:82746) is conjugate acid of (9Z,12Z)-pentadecadienoyl-CoA(4−) (CHEBI:78684)
Incoming Relation(s)
(9Z,12Z)-pentadecadienoyl-CoA(4−) (CHEBI:78684) is conjugate base of (9Z,12Z)-pentadecadienoyl-CoA (CHEBI:82746)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(9Z,12Z)-pentadeca-9,12-dienoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
Synonym  Source
(9Z,12Z)-pentadecadienoyl-coenzyme AChEBI