Structure Database (LMSD)

Common Name
Lycopersene
Systematic Name
7,8,11,12,15,7',8',11',12',15'-Decahydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070404
Formula
C40H66
Exact Mass
Calculate m/z
546.51645
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]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Solanum lycopersicum (#4081)
Magnoliopsida (#3398)
Prelycopersene pyrophosphate and lycopersene. Intermediates in carotene biosynthesis.,
J Biol Chem, 1973
Pubmed ID: 4144544

String Representations

InChiKey (Click to copy)
BGVXBZXEFXMRGJ-DPOFWPLISA-N
InChi (Click to copy)
InChI=1S/C40H66/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h19-22,27-30H,11-18,23-26,31-32H2,1-10H3/b35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES (Click to copy)
C(=C(/C)\CC/C=C(/C)\C)/CC/C(/C)=C/CC/C(/C)=C/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
142538
PubChem CID
5365816
Carotenoid ID
CA00069

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 21
Van der Waals Molecular Volume 679.44
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 14.06
Molar Refractivity 186.04

Admin

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