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CHEBI:88067 - (2E,5Z)-tetradecadienoyl-CoA

ChEBI IDCHEBI:88067
ChEBI Name(2E,5Z)-tetradecadienoyl-CoA
Stars
ASCII Name(2E,5Z)-tetradecadienoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,5Z)-tetradecadienoic acid.
Last Modified1 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC35H58N7O17P3S
Net Charge0
Average Mass973.870
Monoisotopic Mass973.28227
SMILESCCCCCCCC/C=C\C/C=C/C(=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/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-12,14-15,22-24,28-30,34,45-46H,4-10,13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11-,15-14+/t24-,28-,29-,30+,34-/m1/s1
InChIKeyJVEFYXPCQBMMAA-ZMLWRGBOSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2E,5Z)-tetradecadienoyl-CoA (CHEBI:88067) is a long-chain fatty acyl-CoA (CHEBI:33184)
(2E,5Z)-tetradecadienoyl-CoA (CHEBI:88067) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(2E,5Z)-tetradecadienoyl-CoA (CHEBI:88067) is conjugate acid of (2E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:87701)
Incoming Relation(s)
(2E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:87701) is conjugate base of (2E,5Z)-tetradecadienoyl-CoA (CHEBI:88067)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E,5Z)-tetradeca-2,5-dienoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
Synonyms  Source
2trans,5cis-tetradecadienoyl-coenzyme AChEBI
2trans,5cis-tetradecadienoyl-CoAChEBI
(2E,5Z)-tetradecadienoyl-coenzyme AChEBI
Manual XrefsDatabases
CPD0-1162MetaCyc