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CHEBI:138404 - (E)-hex-4-enoyl-CoA(4−)

ChEBI IDCHEBI:138404
ChEBI Name(E)-hex-4-enoyl-CoA(4−)
Stars
ASCII Name(E)-hex-4-enoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (E)-hex-4-enoyl-CoA; major species at pH 7.3.
Last Modified16 November 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC27H40N7O17P3S
Net Charge-4
Average Mass859.638
Monoisotopic Mass859.14362
SMILESC/C=C/CCC(=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/h4-5,14-16,20-22,26,37-38H,6-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b5-4+/t16-,20-,21-,22+,26-/m1/s1
InChIKeyPNNYOOSXZDIZBV-HWYUJMJYSA-J
ChEBI Ontology
Outgoing Relation(s)
(E)-hex-4-enoyl-CoA(4−) (CHEBI:138404) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
(E)-hex-4-enoyl-CoA(4−) (CHEBI:138404) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(E)-hex-4-enoyl-CoA(4−) (CHEBI:138404) is conjugate base of (E)-hex-4-enoyl-CoA (CHEBI:139083)
Incoming Relation(s)
(E)-hex-4-enoyl-CoA (CHEBI:139083) is conjugate acid of (E)-hex-4-enoyl-CoA(4−) (CHEBI:138404)
Synonym  Source
trans-hex-4-enoyl-CoA(4−)ChEBI
UniProt Name  Source
(4E)-hexenoyl-CoAUniProt
Citations