Metabolomics Structure Database

 
MW REGNO: 37382
Common Name:Hippuric acid
Systematic Name:2-(phenylformamido)acetic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
179.0582 (neutral)    Calculate m/z:
Formula:C9H9NO3
InChIKey:QIAFMBKCNZACKA-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Benzoic acids and derivatives [C0000176]
ClassyFire direct parent:Hippuric acids [C0001318]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:464
CHEBI ID:18089
HMDB ID:HMDB0000714
KEGG ID:C01586
Chemspider ID:451
METLIN ID:1301
BMRB ID:bmse000408
MetaCyc ID:CPD-425
EPA CompTox DB:DTXCID7026073

References

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

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