Structure Database (LMSD)
Common Name
beta-Apo-10'-carotenal
Systematic Name
10'-Apo-β-caroten-10'-al
Synonyms
- 10'-Apo-beta-carotenal
No other lipid differing only in stereochemistry/bond geometry found
3D model of beta-Apo-10'-carotenal
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)
PJEHRCCPERVGEC-FLHUAPOTSA-N
InChi (Click to copy)
InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15+
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=O)=C(C)CC1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mus musculus
(#10090)
Mammalia
(#40674)
Identification and characterization of a mammalian enzyme catalyzing the asymmetric oxidative cleavage of provitamin A.,
J Biol Chem, 2001
J Biol Chem, 2001
Pubmed ID:
11278918
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
1
Aromatic Rings
Rotatable Bonds
8
Van der Waals Molecular Volume
448.33
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors
1
logP
7.78
Molar Refractivity
124.23
Admin
Created at
17th Nov 2021
Updated at
20th Dec 2022