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CHEBI:156249 - (E)-5-hydroxyferuloyl-CoA(4−)

ChEBI IDCHEBI:156249
ChEBI Name(E)-5-hydroxyferuloyl-CoA(4−)
Stars
ASCII Name(E)-5-hydroxyferuloyl-CoA(4-)
DefinitionTetraanion of (E)-5-hydroxyferuloyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC31H40N7O20P3S
Net Charge-4
Average Mass955.679
Monoisotopic Mass955.12836
SMILESCOc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])cc(O)c1O
InChIInChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/b5-4+/t19-,24-,25-,26?,30-/m1/s1
InChIKeyILSPFIPSQSFPCN-HNSZETJFSA-J
ChEBI Ontology
Outgoing Relation(s)
(E)-5-hydroxyferuloyl-CoA(4−) (CHEBI:156249) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
(E)-5-hydroxyferuloyl-CoAUniProt
Manual XrefsDatabases
5-HYDROXY-FERULOYL-COAMetaCyc
Citations