Structure Database (LMSD)

Common Name
(5Z)-Lycopene
Systematic Name
(5Z)-psi,psi-Carotene
Synonyms
LM ID
LMPR01070400
Formula
C40H56
Exact Mass
Calculate m/z
536.4382
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
synthetic construct (#32630)
Vegetable oil-mediated thermal isomerization of (all-E)-lycopene: Facile and efficient production of Z-isomers,
Eur J Lipid Sci, 2016
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-IKZLVQEUSA-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/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)=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
177905
PubChem CID
11756979
Carotenoid ID
CA01130

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 666.24
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.94
Molar Refractivity 185.57

Admin

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