CHEBI:57768 - 4-coumaroylshikimate

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ChEBI Name 4-coumaroylshikimate
ChEBI ID CHEBI:57768
Definition The conjugate base of 4-coumaroylshikimic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H15O7
Net Charge -1
Average Mass 319.28610
Monoisotopic Mass 319.08233
InChI InChI=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
InChIKey GVECSFFLZYNEBO-PDXJTRCTSA-M
SMILES O[C@@H]1C=C(C[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O)C([O-])=O
ChEBI Ontology
Outgoing 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 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 Sources
4-coumaroylshikimate anion ChEBI
4-coumaroylshikimate(1−) ChEBI
trans-4-coumaroylshikimate UniProt
Last Modified
24 February 2015