Structure Database (LMSD)

Common Name
1,2-Dihydro-3,4-dehydrolycopene
Systematic Name
Synonyms
LM ID
LMPR01070220
Formula
C40H56
Exact Mass
Calculate m/z
536.4382
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
XEFDTIKFOUOWQK-FQMRBFJQSA-N
InChi (Click to copy)
InChI=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/h11-13,15-18,20-23,25-33H,14,19,24H2,1-10H3/b12-11+,23-13+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES (Click to copy)
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=C/C=C(\C)/CC/C=C(\C)/C

Other Databases

LIPIDBANK ID
VCA1138
PubChem CID
16061312
Carotenoid ID
CA00045

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 666.24
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.79
Molar Refractivity 185.50

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Created at
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Updated at
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