Structure Database (LMSD)

Common Name
Dihydroxylycopene
Systematic Name
1,2,1',2'-Tetrahydro-psi,psi-carotene-1,1'-diol
Synonyms
  • 1,1'-Dihydroxylycopene
LM ID
LMPR01070417
Formula
C40H56O2
Exact Mass
Calculate m/z
568.42803
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
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

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

Other Databases

PubChem CID
102249534
Carotenoid ID
CA00088

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

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