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CHEBI:84788 - trans,trans-2,4-hexadienoyl-CoA(4−)

ChEBI IDCHEBI:84788
ChEBI Nametrans,trans-2,4-hexadienoyl-CoA(4−)
Stars
ASCII Nametrans,trans-2,4-hexadienoyl-CoA(4-)
DefinitionA trans,trans-2,3,4,5-tetradehydroacyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of trans,trans-2,4-hexadienoyl-CoA; major species at pH 7.3.
Last Modified9 December 2015
Submitterlaimo
DownloadsMolfile
FormulaC27H38N7O17P3S
Net Charge-4
Average Mass857.622
Monoisotopic Mass857.12797
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)/p-4/b5-4+,7-6+/t16-,20-,21-,22+,26-/m1/s1
InChIKeyOUDBPEVXTMAWSG-VUJIAKIYSA-J
ChEBI Ontology
Outgoing Relation(s)
trans,trans-2,4-hexadienoyl-CoA(4−) (CHEBI:84788) is a acyl-CoA(4−) (CHEBI:58342)
trans,trans-2,4-hexadienoyl-CoA(4−) (CHEBI:84788) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
trans,trans-2,4-hexadienoyl-CoA(4−) (CHEBI:84788) is conjugate base of trans,trans-2,4-hexadienoyl-CoA (CHEBI:85439)
Incoming Relation(s)
trans,trans-2,4-hexadienoyl-CoA (CHEBI:85439) is conjugate acid of trans,trans-2,4-hexadienoyl-CoA(4−) (CHEBI:84788)
Synonyms  Source
2trans,4trans-hexadienoyl-CoA(4−)SUBMITTER
(E,E)-2,4-hexadienoyl-CoA(4−)SUBMITTER
UniProt Name  Source
(2E,4E)-hexadienoyl-CoAUniProt