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CHEBI:84790 - trans-3-hexenoyl-CoA(4−)

ChEBI IDCHEBI:84790
ChEBI Nametrans-3-hexenoyl-CoA(4−)
Stars
ASCII Nametrans-3-hexenoyl-CoA(4-)
DefinitionA trans-3-enoyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-3-hexenoyl-CoA; major species at pH 7.3.
Last Modified9 December 2015
Submitterlaimo
DownloadsMolfile
FormulaC27H40N7O17P3S
Net Charge-4
Average Mass859.638
Monoisotopic Mass859.14362
SMILESCC/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/C27H44N7O17P3S/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/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b6-5+/t16-,20-,21-,22+,26-/m1/s1
InChIKeySKDDJNFRAZIJIG-SYLRIUJSSA-J
ChEBI Ontology
Outgoing Relation(s)
trans-3-hexenoyl-CoA(4−) (CHEBI:84790) is a trans-3-enoyl-CoA(4−) (CHEBI:58521)
trans-3-hexenoyl-CoA(4−) (CHEBI:84790) is a 4-saturated-trans-3-enoyl-CoA(4−) (CHEBI:85493)
trans-3-hexenoyl-CoA(4−) (CHEBI:84790) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
trans-3-hexenoyl-CoA(4−) (CHEBI:84790) is conjugate base of trans-3-hexenoyl-CoA (CHEBI:85442)
Incoming Relation(s)
trans-3-hexenoyl-CoA (CHEBI:85442) is conjugate acid of trans-3-hexenoyl-CoA(4−) (CHEBI:84790)
Synonyms  Source
3trans-hexenoyl-CoA(4−)SUBMITTER
3E-hexenoyl-CoA(4−)SUBMITTER
UniProt Name  Source
(3E)-hexenoyl-CoAUniProt