Metabolomics Structure Database

 
MW REGNO: 38741
Common Name:Ophthalmic acid
Systematic Name:(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}butanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
289.1274 (neutral)    Calculate m/z:
Formula:C11H19N3O6
InChIKey:JCMUOFQHZLPHQP-BQBZGAKWSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Oligopeptides [C0004831]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:7018721
HMDB ID:HMDB0005765
Chemspider ID:5381695
EPA CompTox DB:DTXCID801332876

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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