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CHEBI:27441 - D-prephenyl lactate

ChEBI IDCHEBI:27441
ChEBI NameD-prephenyl lactate
Stars
ASCII NameD-prephenyl lactate
DefinitionA carboxylic acid having D-lactic acid as the carboxylic acid component and a 3-hydroxycyclohexa-1,4-diene as the alcohol component.
Secondary ChEBI IDsCHEBI:4225, CHEBI:21069
Last Modified2 October 2014
DownloadsMolfile
FormulaC13H14O8
Net Charge0
Average Mass298.247
Monoisotopic Mass298.06887
SMILESC[C@@H](O)C(=O)O[C@H]1C=C[C@@](CC(=O)C(=O)O)(C(=O)O)C=C1
InChIInChI=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
InChIKeyLNGMWZFHTXFDNM-RBDZCENOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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-PrephenyllactateKEGG COMPOUND
Manual XrefsDatabases
C00994KEGG COMPOUND