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CHEBI:82747 - (9Z,12Z)-heptadecadienoyl-CoA

ChEBI IDCHEBI:82747
ChEBI Name(9Z,12Z)-heptadecadienoyl-CoA
Stars
ASCII Name(9Z,12Z)-heptadecadienoyl-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)-heptadecadienoic acid.
Last Modified19 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC38H64N7O17P3S
Net Charge0
Average Mass1015.951
Monoisotopic Mass1015.32922
SMILESCCCC/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/C38H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h7-8,10-11,25-27,31-33,37,48-49H,4-6,9,12-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/b8-7-,11-10-/t27-,31-,32-,33+,37-/m1/s1
InChIKeyZCWCVEASRCTNOG-USRQLYQFSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z)-heptadecadienoyl-CoA (CHEBI:82747) is a long-chain fatty acyl-CoA (CHEBI:33184)
(9Z,12Z)-heptadecadienoyl-CoA (CHEBI:82747) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(9Z,12Z)-heptadecadienoyl-CoA (CHEBI:82747) is conjugate acid of (9Z,12Z)-heptadecadienoyl-CoA(4−) (CHEBI:78690)
Incoming Relation(s)
(9Z,12Z)-heptadecadienoyl-CoA(4−) (CHEBI:78690) is conjugate base of (9Z,12Z)-heptadecadienoyl-CoA (CHEBI:82747)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z)-heptadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(9Z,12Z)-heptadecadienoyl-coenzyme AChEBI