Structure Database (LMSD)

O OH
Common Name
Rhodopinal
Systematic Name
(13Z)-1-Hydroxy-1,2-dihydro-psi,psi-caroten-20-al
Synonyms
LM ID
LMPR01070477
Formula
Exact Mass
Calculate m/z
568.42803
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
GOJQFVQXKNNAAY-XQHLYSSHSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/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/h10-11,13-16,18-19,21-27,29-30,32,42H,12,17,20,28,31H2,1-9H3/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(/C=O)(\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

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lamprocystis roseopersicina (#53453)
Gammaproteobacteria (#1236)
Carotenoids of Thiorhodeceae. 8. Isolation and characterization of a Thiothece, Lamprocystis and Thiodictyon strain and their carotenoid pigments.,
Arch Mikrobiol, 1968
Pubmed ID: 5711189

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 42
Rings
Aromatic Rings
Rotatable Bonds 18
Van der Waals Molecular Volume 683.82
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.60
Molar Refractivity 187.96

Admin

Created at
17th Nov 2021
Updated at
25th Nov 2021