CHEBI:57355 - 4-coumaroyl-CoA(4−)

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ChEBI Name 4-coumaroyl-CoA(4−)
ChEBI ID CHEBI:57355
ChEBI ASCII Name 4-coumaroyl-CoA(4-)
Definition Tetraanion of 4-coumaroyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H38N7O18P3S
Net Charge -4
Average Mass 909.64500
Monoisotopic Mass 909.121
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/t19-,23-,24-,25+,29-/m1/s1
InChIKey DMZOKBALNZWDKI-FUEUKBNZSA-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=Cc1ccc(O)cc1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-coumaroyl-CoA(4−) (CHEBI:57355) has role human metabolite (CHEBI:77746)
4-coumaroyl-CoA(4−) (CHEBI:57355) is a acyl-CoA(4−) (CHEBI:58342)
4-coumaroyl-CoA(4−) (CHEBI:57355) is conjugate base of 4-coumaroyl-CoA (CHEBI:15499)
Incoming 4-coumaroyl-CoA (CHEBI:15499) is conjugate acid of 4-coumaroyl-CoA(4−) (CHEBI:57355)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym Source
4-coumaroyl-CoA UniProt
Last Modified
10 March 2014