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

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ChEBI Name trans-feruloylacetyl-CoA(4−)
ChEBI ID CHEBI:142389
ChEBI ASCII Name trans-feruloylacetyl-CoA(4-)
Definition A feruloylacetyl-CoA(4−) in which the C=C double bond of the feruloyl group has trans configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C33H42N7O20P3S
Net Charge -4
Average Mass 981.710
Monoisotopic Mass 981.14401
InChI InChI=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
InChIKey KBVPPTKWCRMUEW-MKBARTHHSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C(C(NCCC(NCCSC(=O)CC(=O)/C=C/C4=CC=C(C(=C4)OC)O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 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 feruloylacetyl-CoA (CHEBI:71236) is conjugate acid of trans-feruloylacetyl-CoA(4−) (CHEBI:142389)
Synonym Source
(E)-feruloylacetyl-CoA UniProt
Manual Xref Database
CPD-12180 MetaCyc
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Last Modified
09 August 2019