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CHEBI:86160 - (2E)-pentenoyl-CoA(4−)

ChEBI IDCHEBI:86160
ChEBI Name(2E)-pentenoyl-CoA(4−)
Stars
ASCII Name(2E)-pentenoyl-CoA(4-)
DefinitionA 2,3-trans-enoyl CoA(4−) obtained by deprotonation of phosphate and diphosphate functions of (2E)-pentenoyl-CoA; major species at pH 7.3.
Last Modified13 July 2015
Submitternhn
DownloadsMolfile
FormulaC26H38N7O17P3S
Net Charge-4
Average Mass845.611
Monoisotopic Mass845.12797
SMILESCC/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/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b6-5+/t15-,19-,20-,21+,25-/m1/s1
InChIKeyGJSFKOVNQYGUGN-JQVZGLFNSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E)-pentenoyl-CoA(4−) (CHEBI:86160) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E)-pentenoyl-CoA(4−) (CHEBI:86160) is a pent-2-enoyl-CoA(4−) (CHEBI:83324)
Synonyms  Source
(2E)-pent-2-enoyl-coenzyme A(4−)ChEBI
(2E)-pentenoyl-coenzyme A(4−)ChEBI
(2E)-pent-2-enoyl-CoA(4−)ChEBI
UniProt Name  Source
(2E)-pentenoyl-CoAUniProt