Structure Database (LMSD)

Common Name
Rhodopinol
Systematic Name
(13Z)-1,2-Dihydro-psi,psi-carotene-1,20-diol
Synonyms
LM ID
LMPR01070430
Formula
Exact Mass
Calculate m/z
570.44368
Status
Curated

Classification

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lamprocystis roseopersicina (#53453)
Gammaproteobacteria (#1236)
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)
XMXRPRQNVZIVTC-XQHLYSSHSA-N
InChi (Click to copy)
InChI=1S/C40H58O2/c1-33(2)18-12-20-35(4)22-14-24-36(5)23-13-21-34(3)19-10-11-29-39(32-41)30-16-27-37(6)25-15-26-38(7)28-17-31-40(8,9)42/h10-11,13-16,18-19,21-27,29-30,41-42H,12,17,20,28,31-32H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,34-19+,35-22+,36-23+,37-27+,38-26+,39-29+
SMILES (Click to copy)
C(/CO)(\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(O)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(/C)\C

Other Databases

CHEBI ID
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 42
Rings
Aromatic Rings
Rotatable Bonds 18
Van der Waals Molecular Volume 686.46
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.68
Molar Refractivity 189.47

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Created at
17th Nov 2021
Updated at
22nd Nov 2021