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CHEBI:142389 - trans-feruloylacetyl-CoA(4−)

ChEBI IDCHEBI:142389
ChEBI Nametrans-feruloylacetyl-CoA(4−)
Stars
ASCII Nametrans-feruloylacetyl-CoA(4-)
DefinitionA feruloylacetyl-CoA(4−) in which the C=C double bond of the feruloyl group has trans configuration.
Last Modified9 August 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC33H42N7O20P3S
Net Charge-4
Average Mass981.717
Monoisotopic Mass981.14401
SMILESCOc1cc(/C=C/C(=O)CC(=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-])ccc1O
InChIInChI=1S/C33H46N7O20P3S/c1-33(2,28(46)31(47)36-9-8-23(43)35-10-11-64-24(44)13-19(41)6-4-18-5-7-20(42)21(12-18)55-3)15-57-63(53,54)60-62(51,52)56-14-22-27(59-61(48,49)50)26(45)32(58-22)40-17-39-25-29(34)37-16-38-30(25)40/h4-7,12,16-17,22,26-28,32,42,45-46H,8-11,13-15H2,1-3H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/p-4/b6-4+/t22-,26-,27-,28?,32-/m1/s1
InChIKeyKBVPPTKWCRMUEW-MKBARTHHSA-J
ChEBI Ontology
Outgoing Relation(s)
trans-feruloylacetyl-CoA(4−) (CHEBI:142389) is a feruloylacetyl-CoA(4−) (CHEBI:71221)
trans-feruloylacetyl-CoA(4−) (CHEBI:142389) is conjugate base of feruloylacetyl-CoA (CHEBI:71236)
Incoming Relation(s)
feruloylacetyl-CoA (CHEBI:71236) is conjugate acid of trans-feruloylacetyl-CoA(4−) (CHEBI:142389)
UniProt Name  Source
(E)-feruloylacetyl-CoAUniProt
Manual XrefsDatabases
CPD-12180MetaCyc