Structure Database (LMSD)

O
Common Name
Lycopenal
Systematic Name
(13Z)-psi,psi-Caroten-20-al
Synonyms
LM ID
LMPR01070474
Formula
C40H54O
Exact Mass
Calculate m/z
550.417465
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PVMQZQKZKCHZMP-LSWHINSZSA-N
InChi (Click to copy)
InChI=1S/C40H54O/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/h10-11,14-20,23-32H,12-13,21-22H2,1-9H3/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/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C)=C(\C=O)/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
Blastochloris viridis (#1079)
Alphaproteobacteria (#28211)
Cross-conjugated carotenoid aldehydes in Rhodopseudomonas viridis,
Phytochemistry, 1976

Other Databases

PubChem CID
171120480
Carotenoid ID
CA00996

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