Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	3183
Common Name:	1-Nonanol
Systematic Name:	nonan-1-ol
RefMet Name:	1-Nonanol
Synonyms:	1-Hydroxynonane; 1-Nonanol; NONAN-1-OL; Nonylalkohol; Pelargonalkohol; n-Nonyl alcohol; n-nonanol; nonalol; nonyl alcohol; octyl carbinol; pelargonic alcohol [PubChem Synonyms]
Exact Mass:	144.1514 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C9H20O
InChIKey:	ZWRUINPWMLAQRD-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty alcohols [FA05]
Massbank MS spectra:	View MS spectra
SMILES:	CCCCCCCCCO
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	8914
LIPID MAPS ID:	LMFA05000092
CHEBI ID:	35986
HMDB ID:	HMDB0031265
KEGG ID:	C14696
Chemspider ID:	8574
EPA CompTox DB:	DTXCID402008
Plant Metabolite Hub(Pmhub):	MS000016040

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