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CHEBI:231932 - pent-3-enoyl-CoA(4−)

ChEBI IDCHEBI:231932
ChEBI Namepent-3-enoyl-CoA(4−)
Stars
ASCII Namepent-3-enoyl-CoA(4-)
DefinitionA 2,3-dehydroacyl-CoA anion arising from deprotonation of phosphate and diphosphate functions of pent-3-enoyl-CoA; major species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC26H38N7O17P3S
Net Charge-4
Average Mass845.611
Monoisotopic Mass845.12797
SMILESCC=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/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/h4-5,13-15,19-21,25,36-37H,6-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1
InChIKeyIKCIAVDGLNYEPT-ZMHDXICWSA-J
ChEBI Ontology
Outgoing Relation(s)
pent-3-enoyl-CoA(4−) (CHEBI:231932) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
pent-3-enoyl-CoAUniProt
Citations