Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
Structure viewing options:  Static Image   GGAKetcher   MarvinView Applet   JmolApplet   ChemDraw              (?)
LM IDLMPR01090000
Common NameRetinol skeleton (W)
Systematic Name3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2E,4E,6E,8E-tetraen-1-ol
Synonyms-
Exact Mass-
Formula-
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassRetinoids [PR0109]
PubChem Substance ID (SID)-
METABOLOMICS ID-
KEGG IDC00473
HMDB IDHMDB00305
YMDB ID-
CHEBI ID17336
InChIKeyFPIPGXGPPPQFEQ-OVSJKPMPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-1
3,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
337.79Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.80Molar
Refractivity
93.70    
logo LIPID MAPS is funded by a grant from the National Institute of General Medical Sciences of the National Institutes of Health.