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CHEBI:85439 - trans,trans-2,4-hexadienoyl-CoA

ChEBI IDCHEBI:85439
ChEBI Nametrans,trans-2,4-hexadienoyl-CoA
Stars
ASCII Nametrans,trans-2,4-hexadienoyl-CoA
DefinitionA trans,trans-2,3,4,5-tetradehydroacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans,trans-2,4-hexadienoic acid.
Last Modified15 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC27H42N7O17P3S
Net Charge0
Average Mass861.654
Monoisotopic Mass861.15707
SMILESC/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/C27H42N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h4-7,14-16,20-22,26,37-38H,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b5-4+,7-6+/t16-,20-,21-,22+,26-/m1/s1
InChIKeyOUDBPEVXTMAWSG-VUJIAKIYSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
trans,trans-2,4-hexadienoyl-CoA (CHEBI:85439) has functional parent (2E,4E)-hexa-2,4-dienoic acid (CHEBI:38358)
trans,trans-2,4-hexadienoyl-CoA (CHEBI:85439) is a trans,trans-2,3,4,5-tetradehydroacyl-CoA (CHEBI:17157)
trans,trans-2,4-hexadienoyl-CoA (CHEBI:85439) is a medium-chain fatty acyl-CoA (CHEBI:61907)
trans,trans-2,4-hexadienoyl-CoA (CHEBI:85439) is conjugate acid of trans,trans-2,4-hexadienoyl-CoA(4−) (CHEBI:84788)
Incoming Relation(s)
trans,trans-2,4-hexadienoyl-CoA(4−) (CHEBI:84788) is conjugate base of trans,trans-2,4-hexadienoyl-CoA (CHEBI:85439)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,4E)-hexa-2,4-dienoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2trans,4trans-hexadienoyl-CoAChEBI
(2E,4E)-hexadienoyl-CoAChEBI
trans,trans-2,4-hexadienoyl-coenzyme AChEBI
2trans,4trans-hexadienoyl-coenzyme AChEBI
(2E,4E)-hexadienoyl-coenzyme AChEBI
(E,E)-2,4-hexadienoyl-coenzyme AChEBI