Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OHONHHONHNH2O
MW REGNO: 202116
Common Name:NA-Cit 13:0
Systematic Name:N-(tridecanoyl)-citrulline
RefMet Name:NA-Cit 13:0
Synonyms: [PubChem Synonyms]
Exact Mass:
371.2784 (neutral)    Calculate m/z:
Formula:C19H37N3O4
InChIKey:JHJJTNMLLKWTAC-INIZCTEOSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty amides [FA08]
LIPID MAPS subclass:N-acyl amines [FA0802]
SMILES:CCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=O)N)C(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:171116683

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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