Structure database (LMSD)

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LM IDLMPR01070087
Common Name3,4-Dehydrolycopene/ 3,4-Didehydrolycopene
Systematic Name-
Synonyms-
Exact Mass
534.4226 (neutral)    Calculate m/z:
FormulaC40H54
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC40 isoprenoids (tetraterpenes) [PR0107]
LIPIDBANK IDVCA1005
PubChem CID16061227
KEGG IDC15867
CHEBI ID62474
InChIKeyOCMSUPSDVXKDFY-FQMRBFJQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C40H54/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/h11-13,15-23,25-32H,14,24H2,1-10H3/b12-11+,23-13+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
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SMILES
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=C(\CC/C=C(\C)/C)/C)/C)\C)\C)\C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
663.60Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP12.71Molar
Refractivity
185.48