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CHEBI:57768 - 4-coumaroylshikimate

ChEBI IDCHEBI:57768
ChEBI Name4-coumaroylshikimate
Stars
DefinitionThe conjugate base of 4-coumaroylshikimic acid; major species at pH 7.3.
Last Modified24 February 2015
DownloadsMolfile
FormulaC16H15O7
Net Charge-1
Average Mass319.289
Monoisotopic Mass319.08233
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@@H]1CC(C(=O)[O-])=C[C@@H](O)[C@H]1O
InChIInChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/p-1/b6-3+/t12-,13-,15-/m1/s1
InChIKeyGVECSFFLZYNEBO-PDXJTRCTSA-M
ChEBI Ontology
Outgoing Relation(s)
4-coumaroylshikimate (CHEBI:57768) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
4-coumaroylshikimate (CHEBI:57768) is conjugate base of 4-coumaroylshikimic acid (CHEBI:16428)
Incoming Relation(s)
4-coumaroylshikimic acid (CHEBI:16428) is conjugate acid of 4-coumaroylshikimate (CHEBI:57768)
IUPAC Name 
(3R,4R,5R)-3,4-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohex-1-ene-1-carboxylate
Synonyms  Source
4-coumaroylshikimate(1−)ChEBI
4-coumaroylshikimate anionChEBI
UniProt Name  Source
trans-4-coumaroylshikimateUniProt