OntologieschebiclassesCHEBI:57355   
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4-coumaroyl-CoA(4-)
http://purl.obolibrary.org/obo/CHEBI_57355

Tetraanion of 4-coumaroyl-CoA arising from deprotonation of phosphate and diphosphate functions.

Also appears inslmgo
Exact Synonyms
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}
Related Synonyms
4-coumaroyl-CoA
class Information
charge

-4

formula

C30H38N7O18P3S

has_obo_namespace

chebi_ontology

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

in_subset

3_STAR

mass

909.64500

monoisotopicmass

909.12288

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

class Relations