Metabolomics Structure Database

 
MW REGNO: 37054
Common Name:Creatine
Systematic Name:2-(1-methylcarbamimidamido)acetic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
131.0695 (neutral)    Calculate m/z:
Formula:C4H9N3O2
InChIKey:CVSVTCORWBXHQV-UHFFFAOYSA-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 and derivatives [C0000060]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:586
CHEBI ID:16919
HMDB ID:HMDB0000064
KEGG ID:C00300
Chemspider ID:566
METLIN ID:7
BMRB ID:bmse000999
MetaCyc ID:CREATINE
EPA CompTox DB:DTXCID9020451

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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