Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	3141
Common Name:	3E,13Z-octadecadien-1-ol
Systematic Name:	3E,13Z-octadecadien-1-ol
RefMet Name:	3E,13Z-Octadecadien-1-ol
Synonyms:	octadecan-3E,13Z-dien-1-ol [PubChem Synonyms]
Exact Mass:	266.2610 (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:	C18H34O
InChIKey:	QBNCGBJHGBGHLS-IYUNJCAYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty alcohols [FA05]
SMILES:	CCCC/C=C\CCCCCCCC/C=C/CCO
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5283297
LIPID MAPS ID:	LMFA05000048

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