Metabolomics Structure Database

MW REGNO: 151561
Common Name:Prephenic acid
Systematic Name:(1s,4s)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
RefMet Name:Prephenic acid
Synonyms:(1s,4s)-prephenic acid; cis-1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid; cis-prephenic acid [PubChem Synonyms]
Exact Mass:
226.0477 (neutral)    Calculate m/z:
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Keto acids and derivatives [C0000389]
ClassyFire subclass:Gamma-keto acids and derivatives [C0001115]
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:1028
CHEBI ID:84387
BMRB ID:bmse000108
Drugbank ID:DB08427
Plant Metabolite Hub(Pmhub):MS000016834


LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y