Metabolomics Structure Database

 
MW REGNO: 38742
Common Name:Norophthalmic acid
Systematic Name:(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
RefMet Name:Norophthalmic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
275.1117 (neutral)    Calculate m/z:
Formula:C10H17N3O6
InChIKey:RPVCUZZJCXVVDW-WDSKDSINSA-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]
SMILES:C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5489007
HMDB ID:HMDB0005766
Chemspider ID:4590046
MetaCyc ID:CPD0-2056
Plant Metabolite Hub(Pmhub):MS000166896

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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