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CHEBI:87305 - trans-feruloyl-CoA(4−)

ChEBI IDCHEBI:87305
ChEBI Nametrans-feruloyl-CoA(4−)
Stars
ASCII Nametrans-feruloyl-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of 3-trans-feruloyl-CoA. Major structure at pH 7.3.
Last Modified9 August 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC31H40N7O19P3S
Net Charge-4
Average Mass939.680
Monoisotopic Mass939.13345
SMILESCOc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](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-])ccc1O
InChIInChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/b7-5+/t20-,24-,25-,26+,30-/m1/s1
InChIKeyGBXZVJQQDAJGSO-NBXNMEGSSA-J
ChEBI Ontology
Outgoing Relation(s)
trans-feruloyl-CoA(4−) (CHEBI:87305) is a feruloyl-CoA(4−) (CHEBI:57276)
trans-feruloyl-CoA(4−) (CHEBI:87305) is conjugate base of trans-feruloyl-CoA (CHEBI:15511)
Incoming Relation(s)
trans-6-hydroxyferuloyl-CoA(4−) (CHEBI:142390) has functional parent trans-feruloyl-CoA(4−) (CHEBI:87305)
trans-feruloyl-CoA (CHEBI:15511) is conjugate acid of trans-feruloyl-CoA(4−) (CHEBI:87305)
Synonyms  Source
trans-feruloyl-coenzyme A(4−)ChEBI
(E)-feruloyl-CoA(4−)ChEBI
trans-4-hydroxy-3-methoxycinnamoyl-coenzyme A(4−)ChEBI
trans-4-hydroxy-3-methoxycinnamoyl-CoA(4−)ChEBI
(E)-feruloyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(E)-feruloyl-CoAUniProt
Manual XrefsDatabases
FERULOYL-COAMetaCyc