Structure Database (LMSD)

Common Name
(9Z)-Lycopen-20-ol
Systematic Name
(9Z)-psi,psi-Carotene-20-ol
Synonyms
  • Lycopen-20-ol
  • Warmingol
LM ID
LMPR01070418
Formula
Exact Mass
Calculate m/z
552.433115
Status
Active

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)
KGEHWBLVZVNSQJ-AGUWHANASA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-33(2)18-12-21-36(6)24-15-27-38(8)26-14-23-35(5)20-10-11-30-40(32-41)31-17-29-39(9)28-16-25-37(7)22-13-19-34(3)4/h10-11,14-20,23-31,41H,12-13,21-22,32H2,1-9H3/b11-10+,23-14+,27-15+,28-16+,31-17+,35-20+,36-24+,37-25+,38-26+,39-29-,40-30-
SMILES (Click to copy)
C(=C(/C)\CC/C=C(\C)/C)/C=C/C(/C)=C\C=C\C(\CO)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/C

Other Databases

PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 41
Rings
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 675.03
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.20
Molar Refractivity 187.47

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