Structure Database (LMSD)

Common Name
Rhodopin/ OH-Lycopene
Systematic Name
Synonyms
LM ID
LMPR01070114
Status
Active
Exact Mass
Calculate m/z
554.448765
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CNYVJTJLUKKCGM-RGGGOQHISA-N
InChi (Click to copy)
InChI=1S/C40H58O/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/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILES (Click to copy)
C(CC(C)(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(/CC/C=C(\C)/C)\C)\C)/C)/C)/C

References

Other Databases

KEGG ID
CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 677.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.42
Molar Refractivity 187.57

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Created at
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Updated at
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