Structure Database (LMSD)

Common Name
Lycopen-19-al
Systematic Name
(9Z)-psi,psi-Caroten-19-al
Synonyms
LM ID
LMPR01070475
Formula
Exact Mass
Calculate m/z
550.417465
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
HBDGHUUJZALTSD-SUQVQCIOSA-N
InChi (Click to copy)
InChI=1S/C40H54O/c1-33(2)18-12-22-37(7)25-15-27-39(9)26-14-24-35(5)20-10-11-21-36(6)28-16-30-40(32-41)31-17-29-38(8)23-13-19-34(3)4/h10-11,14-21,24-32H,12-13,22-23H2,1-9H3/b11-10+,24-14+,27-15+,28-16+,31-17+,35-20+,36-21+,37-25+,38-29+,39-26+,40-30+
SMILES (Click to copy)
C(=C(/C)\CC/C=C(\C)/C)/C=C/C(/C=O)=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

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

PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 41
Rings
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 672.39
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 12.12
Molar Refractivity 185.96

Admin

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