Metabolomics Structure Database

 
MW REGNO: 37494
Common Name:Citrulline
Systematic Name:(2S)-2-amino-5-(carbamoylamino)pentanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
175.0957 (neutral)    Calculate m/z:
Formula:C6H13N3O3
InChIKey:RHGKLRLOHDJJDR-BYPYZUCNSA-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:Alpha amino acids [C0002404]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:9750
CHEBI ID:16349
HMDB ID:HMDB0000904
KEGG ID:C00327
Chemspider ID:9367
METLIN ID:16
BMRB ID:bmse000858
MetaCyc ID:L-CITRULLINE
EPA CompTox DB:DTXCID00810762

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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