Metabolomics Structure Database

 
MW REGNO: 3342
Common Name:Heptan-4-ol
Systematic Name:Heptan-4-ol
RefMet Name:Heptan-4-ol
Synonyms: [PubChem Synonyms]
Exact Mass:
116.1201 (neutral)    Calculate m/z:
Formula:C7H16O
InChIKey:YVBCULSIZWMTFY-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty alcohols [FA05]
SMILES:CCCC(CCC)O
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

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