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

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ChEBI Name trans-4-coumaroyl-CoA(4−)
ChEBI ID CHEBI:85008
ChEBI ASCII Name trans-4-coumaroyl-CoA(4-)
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H38N7O18P3S
Net Charge -4
Average Mass 909.64700
Monoisotopic Mass 909.12288
InChI InChI=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
InChIKey DMZOKBALNZWDKI-MATMFAIHSA-J
SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccc(O)cc1
ChEBI Ontology
Outgoing 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 trans-4-coumaroyl-CoA (CHEBI:85531) is conjugate acid of trans-4-coumaroyl-CoA(4−) (CHEBI:85008)
Synonym Source
(E)-4-coumaroyl-CoA UniProt
Last Modified
01 February 2019