Structure Database (LMSD)

Common Name
Dihydroxylycopene
Systematic Name
1,2,1',2'-Tetrahydro-psi,psi-carotene-1,1'-diol
Synonyms
  • OH-Rhodopin
  • 1,1'-Dihydroxylycopene
LM ID
LMPR01070116
Formula
C40H60O2
Exact Mass
Calculate m/z
572.45933
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

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)
FOHPEEJTFCJHNI-FIKDCGPASA-N
InChi (Click to copy)
InChI=1S/C40H60O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-16,19-28,41-42H,17-18,29-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
SMILES (Click to copy)
C(CC(C)(C)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(/CCCC(C)(O)C)\C)\C)/C)/C)/C

Other Databases

CHEBI ID
63065
LIPIDBANK ID
VCA1034
PubChem CID
14502754
Carotenoid ID
CA00088

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 689.10
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.90
Molar Refractivity 189.56

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Created at
-
Updated at
23rd Nov 2023