Metabolomics Structure Database

 
MW REGNO: 38258
Common Name:Argininic acid
Systematic Name:(2S)-5-carbamimidamido-2-hydroxypentanoic acid
RefMet Name:Argininic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
175.0957 (neutral)    Calculate m/z:
Formula:C6H13N3O3
InChIKey:BMFMQGXDDJALKQ-BYPYZUCNSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Monosaccharides [C0001540]
SMILES:NC(=N)NCCC[C@@H](O)C(O)=O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:160437
CHEBI ID:90000
HMDB ID:HMDB0003148
Chemspider ID:140984
EPA CompTox DB:DTXCID80217098

Calculated physicochemical properties (?):

Heavy Atoms: 12  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 6  
van der Waals Molecular volume: 166.45 Å3 molecule-1  
Toplogical Polar Sufrace Area: 119.43 Å2 molecule-1  
Hydrogen Bond Donors: 5  
Hydrogen Bond Acceptors: 3  
logP: -0.73  
Molar Refractivity: 43.80  
Fraction sp3 Carbons: 0.67  
sp3 Carbons: 4  

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

  logo