Structure Database (LMSD)
Common Name
Isopalmitic acid
Systematic Name
14-methyl-pentadecanoic acid
Synonyms
- 14-methyl pentadecylic acid
- Isohexadecanoic acid
3D model of Isopalmitic acid
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)
ZONJATNKKGGVSU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
SMILES (Click to copy)
C(CCCC(C)C)CCCCCCCCC(=O)O
References
Other Databases
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0235
PubChem CID
PlantFA ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
300.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.41
Molar Refractivity
77.88
Admin
Created at
-
Updated at
9th Jun 2022