Metabolomics Structure Database

 
MW REGNO: 87135
Common Name:DMGV
Systematic Name: 2-Oxo-5-(3,3-dimethylguanidine-1-yl)pentanoic acid
RefMet Name:DMGV
Synonyms:(alpha-keto-dimethyl-delta-N,N-Dimethylguanidynol) valeric acid [PubChem Synonyms]
Exact Mass:
201.1113 (neutral)    Calculate m/z:
Formula:C8H15N3O3
InChIKey:GLWRPXRMUUZNMD-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Keto acids and derivatives [C0000389]
ClassyFire subclass:Short-chain keto acids and derivatives [C0001416]
ClassyFire direct parent:Short-chain keto acids and derivatives [C0001416]
SMILES:CN(C)/C(/N)=N/CCCC(=O)C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:101535539
CHEBI ID:166462
HMDB ID:HMDB0240212

Calculated physicochemical properties:

No data available

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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