Metabolomics Structure Database

 
MW REGNO: 3196
Common Name:Prenol
Systematic Name:3-Methyl-2-buten-1-ol
RefMet Name:3-Methyl-2-buten-1-ol
Synonyms: [PubChem Synonyms]
Exact Mass:
86.0732 (neutral)    Calculate m/z:
Formula:C5H10O
InChIKey:ASUAYTHWZCLXAN-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty alcohols [FA05]
SMILES:CC(=CCO)C
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:11173
LIPID MAPS ID:LMFA05000106
CHEBI ID:16019
HMDB ID:HMDB0030124
KEGG ID:C01390
Chemspider ID:10700
MetaCyc ID:PRENOL
Plant Metabolite Hub(Pmhub):MS000013593

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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