Structure Database (LMSD)

Common Name
Lycopene
Systematic Name
Synonyms
LM ID
LMPR01070257
Formula
C40H56
Exact Mass
Calculate m/z
536.4382
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

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

String Representations

InChiKey (Click to copy)
OAIJSZIZWZSQBC-GYZMGTAESA-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/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES (Click to copy)
C/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

References

Other Databases

Wikipedia
Lycopene
KEGG ID
C05432
HMDB ID
HMDB0003000
CHEBI ID
15948
PubChem CID
446925
Cayman ID
70945
Carotenoid ID
CA00043
PDB ID
LYC

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 12.94
Molar Refractivity 185.57

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Created at
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Updated at
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