Structure Database (LMSD)

Common Name
(9Z)-Lycopene
Systematic Name
(9Z)-psi,psi-Carotene
Synonyms
LM ID
LMPR01070401
Formula
C40H56
Exact Mass
Calculate m/z
536.4382
Status
Active
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)
zeta-Carotene cis isomers as products and substrates in the plant poly-cis carotenoid biosynthetic pathway to lycopene.,
Planta, 2005
Pubmed ID: 15503129

String Representations

InChiKey (Click to copy)
OAIJSZIZWZSQBC-CBEQXLMWSA-N
InChi (Click to copy)
InChI=1S/C40H56/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/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,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)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/C

Other Databases

CHEBI ID
180470
PubChem CID
6440364
Carotenoid ID
CA01131

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 666.24
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 12.94
Molar Refractivity 185.57

Admin

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