Structure Database (LMSD)

Common Name
Isopalmitic acid
Systematic Name
14-methyl-pentadecanoic acid
Synonyms
  • 14-methyl pentadecylic acid
  • Isohexadecanoic acid
LM ID
LMFA01020010
Formula
C16H32O2
Exact Mass
Calculate m/z
256.24023
Sum Composition
FA 16:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

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

Other Databases

HMDB ID
HMDB0031068
CHEBI ID
84890
LIPIDBANK ID
DFA0235
PubChem CID
36247
PlantFA ID
10204
Cayman ID
36459

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