Metabolomics Structure Database
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MW REGNO: | 1880 |
Common Name: | DL-2-amino-octanoic acid |
Systematic Name: | 2-amino-octanoic acid |
RefMet Name: | 2-Aminocaprylic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C8H17NO2 |
InChIKey: | AKVBCGQVQXPRLD-UHFFFAOYSA-N |
LIPID MAPS Category: | Fatty Acyls [FA] |
LIPID MAPS mainclass: | Fatty Acids and Conjugates [FA01] |
LIPID MAPS subclass: | Amino fatty acids [FA0110] |
NP-MRD NMR spectra: | View NMR spectra |
SMILES: | CCCCCCC(C(=O)O)N |
Studies: | Available studies (via RefMet name) |
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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