CHEBI:57644 - chlorogenate

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ChEBI Name chlorogenate
ChEBI ID CHEBI:57644
Definition A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23144
Supplier Information
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Formula C16H17O9
Net Charge -1
Average Mass 353.30080
Monoisotopic Mass 353.087
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/p-1/b4-2+/t11-,12-,14-,16+/m1/s1
InChIKey CWVRJTMFETXNAD-JUHZACGLSA-M
SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C([O-])=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chlorogenate (CHEBI:57644) has functional parent (−)-quinate (CHEBI:29751)
chlorogenate (CHEBI:57644) has role plant metabolite (CHEBI:76924)
chlorogenate (CHEBI:57644) is a monocarboxylic acid anion (CHEBI:35757)
chlorogenate (CHEBI:57644) is conjugate base of chlorogenic acid (CHEBI:16112)
Incoming chlorogenic acid (CHEBI:16112) is conjugate acid of chlorogenate (CHEBI:57644)
IUPAC Name
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylate
Synonyms Sources
chlorogenate UniProt
chlorogenate anion ChEBI
Registry Number Type Source
6097142 Beilstein Registry Number Beilstein
Last Modified
13 November 2017