Structure Database (LMSD)

Common Name
Rhodopin
Systematic Name
1,2-Dihydro-psi,psi-caroten-1-ol
Synonyms
  • 1-Hydroxylycopene
  • OH-Lycopene
LM ID
LMPR01070114
Formula
C40H58O
Exact Mass
Calculate m/z
554.448765
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodospirillum (#1081)
Alphaproteobacteria (#28211)
Bacterial carotenoids. 33. Carotenoids of thiorhodaceae 9. The structures of the carotenoids of the rhodopinal series.,
Acta Chem Scand, 1970
Pubmed ID: 5507481

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

Other Databases

KEGG ID
C15870
CHEBI ID
35331
LIPIDBANK ID
VCA1032
PubChem CID
5365880
Carotenoid ID
CA00073
PDB ID
IRM

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
-
Updated at
5th Oct 2022