Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102010010
Common NameNerol (W)
Systematic NameZ-Geraniol
Synonyms(Z)-Geraniol; (Z)-3,7-dimethylocta-2,6-dien-1-ol; Neryl alcohol
Exact Mass
154.1358 (neutral)    Calculate m/z:
FormulaC10H18O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Acyclic monoterpenoids [PR010201]
PubChem Compound ID (CID)643820
METABOLOMICS ID-
KEGG IDC09871
HMDB IDHMDB05812
YMDB ID-
CHEBI ID24221
InChIKeyGLZPCOQZEFWAFX-YFHOEESVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
SMILESCC(C)=CCC/C(/C)=C\CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
185.07Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP2.96Molar
Refractivity
50.00    
logo LIPID MAPS is funded by a Wellcome Trust.