Structure Database (LMSD)
Common Name
Anteisononadecanoic acid
Systematic Name
16-methyl-octadecanoic acid
Synonyms
- (+)-16-methyl stearic acid
3D model of Anteisononadecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PCGKIWPTIJPQHI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCC(C)CC)CCCCCCCCC(=O)O
Other Databases
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0241
PubChem CID
PlantFA ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
352.20
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.58
Molar Refractivity
91.73
Admin
Created at
-
Updated at
9th Jun 2022