Structure Database (LMSD)
Common Name
Anhydrolutein III
Systematic Name
(3R)-3',4'-Didehydro-β,β-caroten-3-ol
Synonyms
- Deoxylutein I
No other lipid differing only in stereochemistry/bond geometry found
3D model of Anhydrolutein III
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BMQNSHDVIYZULR-FKKUPVFPSA-N
InChi (Click to copy)
InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/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)/C=C/C2=C(C)C=CCC2(C)C)=C(C)C[C@H]1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Isolation, structural elucidation, and partial synthesis of lutein dehydration products in extracts from human plasma.,
J Chromatogr B Biomed Appl, 1995
J Chromatogr B Biomed Appl, 1995
Pubmed ID:
8548012
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
2
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
652.95
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
11.64
Molar Refractivity
183.20
Admin
Created at
17th Nov 2021
Updated at
2nd Dec 2021