OntologieschebiclassesCHEBI:16666   
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prephenic acid
http://purl.obolibrary.org/obo/CHEBI_16666

An oxo dicarboxylic acid that consists of 4-hydroxycyclohexa-2,5-diene-1-carboxylic acid substituted by a 2-carboxy-2-oxoethyl group at position 1.

Also appears inpclslmuberonmpgo + 1
Exact Synonyms
Prephenic acid
PREPHENIC ACID
Related Synonyms
1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-pyruvic acid
1-carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid
class Information
charge

0

formula

C10H10O6

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)

inchikey

FPWMCUPFBRFMLH-UHFFFAOYSA-N

in_subset

3_STAR

mass

226.18280

monoisotopicmass

226.04774

smiles

OC1C=CC(CC(=O)C(O)=O)(C=C1)C(O)=O

class Relations