Structure Database (LMSD)

Common Name
Dihydrolutein
Systematic Name
(3R,3'R,6'R)-7',8'-Dihydro-β,ε-carotene-3,3'-diol
Synonyms
  • 7',8'-Dihydrolutein
LM ID
LMPR01070908
Formula
C40H58O2
Exact Mass
Calculate m/z
570.44368
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
Bathycoccus prasinos (#41875)
Mamiellophyceae (#1035538)
Additional carotenoid prototype representatives and a general chemosystematic evaluation of carotenoids in prasinophyceae (chlorophyta),
Phytochemistry, 1997

String Representations

InChiKey (Click to copy)
BVQZFYCQXRWKGU-KTHHOQBFSA-N
InChi (Click to copy)
InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,26,35-36,38,41-42H,22,24-25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36+,38+/m1/s1
SMILES (Click to copy)
C1C(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@H]2C(C)=C[C@H](O)CC2(C)C)=C(C)C[C@H]1O

Other Databases

PubChem CID
21773685
Carotenoid ID
CA00617

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 667.02
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.20
Molar Refractivity 185.22

Admin

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