Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR01070257
Common NameLycopene (W)
Systematic Name-
Synonyms-
Exact Mass
536.4382 (neutral)    Calculate m/z:
FormulaC40H56
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC40 isoprenoids (tetraterpenes) [PR0107]
PubChem CID446925
KEGG IDC05432
HMDB IDHMDB0003000
CHEBI ID15948
CAYMAN ID70945
InChIKeyOAIJSZIZWZSQBC-GYZMGTAESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36
(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H
2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,
40-30+
SMILESC/C(/C)=C/CC/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)
/CC/C=C(\C)/C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
666.24Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP12.94Molar
Refractivity
185.57