Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28203
Common Name:	(2-cis,6-cis)-farnesol
Systematic Name:	(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
RefMet Name:	(2-cis,6-cis)-Farnesol
Synonyms:	(2-cis,6-cis)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol; (Z,Z)-farnesol; FARNESOL; cis,cis-farnesol [PubChem Synonyms]
Exact Mass:	222.1984 (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:	C15H26O
InChIKey:	CRDAMVZIKSXKFV-FBXUGWQNSA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C15 isoprenoids (sesquiterpenes) [PR0103]
LIPID MAPS level4class:	Acyclic farnesane sesquiterpenoids [LMPR010301]
SMILES:	CC(=CCC/C(=CCC/C(=CCO)/C)/C)C
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	1549107
LIPID MAPS ID:	LMPR0103010008
CHEBI ID:	42680
MetaCyc ID:	CPD-9101

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