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CHEBI:139121 - (3E,5Z)-dodecadienoyl-CoA

ChEBI IDCHEBI:139121
ChEBI Name(3E,5Z)-dodecadienoyl-CoA
Stars
ASCII Name(3E,5Z)-dodecadienoyl-CoA
DefinitionA medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3E,5Z)-dodecadienoic acid.
Last Modified21 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC33H54N7O17P3S
Net Charge0
Average Mass945.816
Monoisotopic Mass945.25097
SMILESCCCCCC/C=C\C=C\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/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-12,20-22,26-28,32,43-44H,4-8,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b10-9-,12-11+/t22-,26-,27-,28+,32-/m1/s1
InChIKeyARQUZFJQPYWSSL-IAMYAYMBSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3E,5Z)-dodecadienoyl-CoA (CHEBI:139121) is a (3E,5Z)-dienoyl-CoA (CHEBI:85559)
(3E,5Z)-dodecadienoyl-CoA (CHEBI:139121) is a medium-chain fatty acyl-CoA (CHEBI:61907)
(3E,5Z)-dodecadienoyl-CoA (CHEBI:139121) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(3E,5Z)-dodecadienoyl-CoA (CHEBI:139121) is conjugate acid of (3E,5Z)-dodecadienoyl-CoA(4−) (CHEBI:138558)
Incoming Relation(s)
(3E,5Z)-dodecadienoyl-CoA(4−) (CHEBI:138558) is conjugate base of (3E,5Z)-dodecadienoyl-CoA (CHEBI:139121)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3E,5Z)-dodeca-3,5-dienoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(3E,5Z)-dodecadienoyl-coenzyme AChEBI