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CHEBI:142390 - trans-6-hydroxyferuloyl-CoA(4−)

ChEBI IDCHEBI:142390
ChEBI Nametrans-6-hydroxyferuloyl-CoA(4−)
Stars
ASCII Nametrans-6-hydroxyferuloyl-CoA(4-)
SubmitterKristian Axelsen
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-])c(O)cc1O
InChIInChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)5-4-16-10-19(53-3)18(40)11-17(16)39)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10-11,14-15,20,24-26,30,39-40,43-44H,6-9,12-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/b5-4+/t20-,24-,25-,26?,30-/m1/s1
InChIKeyNWKKCROQKYNXQZ-GLMZNTAHSA-J
ChEBI Ontology
Outgoing Relation(s)
trans-6-hydroxyferuloyl-CoA(4−) (CHEBI:142390) has functional parent trans-feruloyl-CoA(4−) (CHEBI:87305)
trans-6-hydroxyferuloyl-CoA(4−) (CHEBI:142390) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
(E)-6-hydroxyferuloyl-CoAUniProt
Citations