Structure Database (LMSD)

OH OH
Common Name
Dihydroxylycopene
Systematic Name
1,2,1',2'-Tetrahydro-psi,psi-carotene-1,1'-diol
Synonyms
  • 1,1'-Dihydroxylycopene
LM ID
LMPR01070417
Formula
Exact Mass
Calculate m/z
568.42803
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
ZYTNXYQYKBORNX-CATRKCNMSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/c1-31(2)27-39(41)29-37(9)25-15-23-35(7)21-13-19-33(5)17-11-12-18-34(6)20-14-22-36(8)24-16-26-38(10)30-40(42)28-32(3)4/h11-28,39-42H,29-30H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+
SMILES (Click to copy)
C(=C(/C)\CC(O)/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(O)/C=C(\C)/C

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cereibacter sphaeroides (#1063)
Alphaproteobacteria (#28211)
Purification and biochemical characterization of a hydroxyneurosporene desaturase involved in the biosynthetic pathway of the carotenoid spheroidene in Rhodobacter sphaeroides.,
J Bacteriol, 1997
Pubmed ID: 9393712

Other Databases

PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 42
Rings
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 683.82
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.45
Molar Refractivity 189.38

Admin

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