CHEBI:27441 - D-prephenyl lactate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name D-prephenyl lactate
ChEBI ID CHEBI:27441
ChEBI ASCII Name D-prephenyl lactate
Definition A carboxylic acid having D-lactic acid as the carboxylic acid component and a 3-hydroxycyclohexa-1,4-diene as the alcohol component.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4225, CHEBI:21069
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C13H14O8
Net Charge 0
Average Mass 298.24550
Monoisotopic Mass 298.06887
InChI InChI=1S/C13H14O8/c1-7(14)11(18)21-8-2-4-13(5-3-8,12(19)20)6-9(15)10(16)17/h2-5,7-8,14H,6H2,1H3,(H,16,17)(H,19,20)/t7-,8-,13+/m1/s1
InChIKey LNGMWZFHTXFDNM-RBDZCENOSA-N
SMILES C[C@@H](O)C(=O)O[C@H]1C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing D-prephenyl lactate (CHEBI:27441) has functional parent (R)-lactic acid (CHEBI:42111)
D-prephenyl lactate (CHEBI:27441) is a lactate ester (CHEBI:83219)
D-prephenyl lactate (CHEBI:27441) is a oxo dicarboxylic acid (CHEBI:36145)
IUPAC Name
cis-1-(2-carboxy-2-oxoethyl)-4-{[(2R)-2-hydroxypropanoyl]oxy}cyclohexa-2,5-diene-1-carboxylic acid
Synonym Source
D-Prephenyllactate KEGG COMPOUND
Manual Xref Database
C00994 KEGG COMPOUND
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Last Modified
02 October 2014