chlorogenic acidImported
A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin.
Defined bychebi
Exact Synonyms
Chlorogenic acid
edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Related Synonyms
3-(3,4-Dihydroxycinnamoyl)quinic acid
3-Caffeoylquinic acid
3-O-Caffeoylquinic acid
5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid
Caffeoyl quinic acid
Chlorogenate
trans-5-O-Caffeoyl-D-quinate
[1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
class Information
charge
0
formula
C16H18O9
has_alternative_id
has_dbxref
has_obo_namespace
chebi_ontology
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)/b4-2+/t11-,12-,14-,16+/m1/s1
inchikey
CWVRJTMFETXNAD-JUHZACGLSA-N
in_subset
mass
354.30870
monoisotopicmass
354.09508
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
class Relations
Subclass of
Related from
is conjugate base of