Metabolomics Structure Database

 
MW REGNO: 43
Common Name:Behenic acid
Systematic Name:docosanoic acid
Synonyms:C22:0 [PubChem Synonyms]
Exact Mass:
340.3341 (neutral)    Calculate m/z:
Formula:C22H44O2
InChIKey:UKMSUNONTOPOIO-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [LMFA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [LMFA01]
LIPID MAPS subclass:Straight chain fatty acids [LMFA0101]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:8215
LIPID MAPS ID:LMFA01010022
CHEBI ID:28941
HMDB ID:HMDB0000944
KEGG ID:C08281
Chemspider ID:7923
METLIN ID:260
MetaCyc ID:DOCOSANOATE

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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