Structure Database (LMSD)

Common Name
1-OH-3,4,3',4'-Tetradehydrolycopene
Systematic Name
Synonyms
LM ID
LMPR01070181
Formula
C40H54O
Exact Mass
Calculate m/z
550.417465
Status
Active
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)
GDBKJKRVPJLKNL-XJEUCKQZSA-N
InChi (Click to copy)
InChI=1S/C40H54O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-31,41H,32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILES (Click to copy)
CC(C)(O)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=C/C=C(\C)/C

Other Databases

LIPIDBANK ID
VCA1099
PubChem CID
16061288
Carotenoid ID
CA00121

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 672.39
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 11.97
Molar Refractivity 187.38

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Created at
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Updated at
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