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
Exact Mass
Calculate m/z
546.51645
Status
Curated

Classification

Biological Context

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
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 679.44
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.06
Molar Refractivity 186.04

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