Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR01090002
Common NameRetinal (W)
Systematic NameRetinal
Synonyms-
Exact Mass
284.2140 (neutral)    Calculate m/z:
FormulaC20H28O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassRetinoids [PR0109]
PubChem Compound ID (CID)638015
METABOLOMICS ID-
KEGG IDC00376
HMDB IDHMDB01358
YMDB ID-
CHEBI ID17898
InChIKeyNCYCYZXNIZJOKI-OVSJKPMPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-
9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
SMILESCC1CCCC(C)(C)C=1/C=C/C(/C)=C/C=C/C(/C)=C/C=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
335.15Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.72Molar
Refractivity
92.19    
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