Structure Database (LMSD)

Common Name
(13Z)-Lycopen-20-ol
Systematic Name
(13Z)-psi,psi-Carotene-20-ol
Synonyms
  • Lycopen-20-ol
  • Warmingol
LM ID
LMPR01070419
Formula
C40H56O
Exact Mass
Calculate m/z
552.433115
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

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-LSWHINSZSA-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
171118687
Carotenoid ID
CA00072

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
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

Admin

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