Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OHONHHONH2
MW REGNO: 202650
Common Name:NA-Orn 7:0
Systematic Name:N-(heptanoyl)-ornithine
RefMet Name:NA-Orn 7:0
Synonyms: [PubChem Synonyms]
Exact Mass:
244.1787 (neutral)    Calculate m/z:
Formula:C12H24N2O3
InChIKey:CPMMZCNAKNTGCG-JTQLQIEISA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty amides [FA08]
LIPID MAPS subclass:N-acyl amines [FA0802]
SMILES:CCCCCCC(=O)N[C@@H](CCCN)C(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:53733435

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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