Structure Database (LMSD)
Common Name
4-Keto-gamma-carotene
Systematic Name
β,psi-Caroten-4-one
Synonyms
- Keto-gamma-carotene
No other lipid differing only in stereochemistry/bond geometry found
3D model of 4-Keto-gamma-carotene
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)
BRKQDNOGSHYATK-HNNISBQLSA-N
InChi (Click to copy)
InChI=1S/C40H54O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(8)39(41)29-30-40(38,9)10/h11-12,14-19,21-28H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
SMILES (Click to copy)
C1(=C(C)C(=O)CCC1(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/C=C(/C)\C
References
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
662.67
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
11.95
Molar Refractivity
183.87
Admin
Created at
-
Updated at
23rd Nov 2023