Structure Database (LMSD)

Common Name
Lycopen-20-al
Systematic Name
psi,psi-Caroten-20-al
Synonyms
LM ID
LMPR01070473
Formula
C40H54O
Exact Mass
Calculate m/z
550.417466
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodocyclus purpureus (#1067)
Betaproteobacteria (#28216)
Carotenoids and Carotenogenesis in Anoxygenic Photosynthetic Bacteria,
The Photochemistry of Carotenoids, 2004

String Representations

InChiKey (Click to copy)
PVMQZQKZKCHZMP-MNWSRVKFSA-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)\CC/C=C(\C)/C)/C=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)/CC/C=C(\C)/C

Other Databases

PubChem CID
151526164
Carotenoid ID
CA00154

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