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CHEBI:85008 - trans-4-coumaroyl-CoA(4−)

ChEBI IDCHEBI:85008
ChEBI Nametrans-4-coumaroyl-CoA(4−)
Stars
ASCII Nametrans-4-coumaroyl-CoA(4-)
DefinitionAn acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of trans-4-coumaroyl-CoA; major species at pH 7.3.
Last Modified18 July 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H38N7O18P3S
Net Charge-4
Average Mass909.654
Monoisotopic Mass909.12288
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/b8-5+/t19-,23-,24-,25+,29-/m1/s1
InChIKeyDMZOKBALNZWDKI-MATMFAIHSA-J
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
trans-4-coumaroyl-CoA(4−) (CHEBI:85008) is a 4-coumaroyl-CoA(4−) (CHEBI:57355)
trans-4-coumaroyl-CoA(4−) (CHEBI:85008) is a acyl-CoA(4−) (CHEBI:58342)
trans-4-coumaroyl-CoA(4−) (CHEBI:85008) is conjugate base of trans-4-coumaroyl-CoA (CHEBI:85531)
Incoming Relation(s)
trans-4-coumaroyl-CoA (CHEBI:85531) is conjugate acid of trans-4-coumaroyl-CoA(4−) (CHEBI:85008)
UniProt Name  Source
(E)-4-coumaroyl-CoAUniProt