Structure Database (LMSD)

Common Name
Prolycopene
Systematic Name
(7Z,9Z,7'Z,9'Z)-psi,psi-Carotene
Synonyms
  • (7Z,9Z,7'Z,9'Z)-Lycopene
  • 7,9,9',7'-tetra-cis-Lycopene
  • 7,9,7',9'-tetracis-Lycopene
  • Neolycopene
  • Neolycopene A
LM ID
LMPR01070403
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]

Reactions

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References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Solanum lycopersicum (#4081)
Magnoliopsida (#3398)
Dissection of tomato lycopene biosynthesis through virus-induced gene silencing.,
Plant Physiol, 2013
Pubmed ID: 24014574
Oryza sativa (#4530)
Magnoliopsida (#3398)
ZEBRA2, encoding a carotenoid isomerase, is involved in photoprotection in rice.,
Plant Mol Biol, 2011
Pubmed ID: 21161331

String Representations

InChiKey (Click to copy)
OAIJSZIZWZSQBC-BYUNHUQQSA-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)\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)/CC/C=C(\C)/C)/C

Other Databases

KEGG ID
C15858
CHEBI ID
62466
PubChem CID
10918539
Carotenoid ID
CA00044

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