Structure Database (LMSD)

Common Name
Neopalmitic acid
Systematic Name
13,13-dimethyl-tetradecanoic acid
Synonyms
  • Neohexadecanoic acid
LM ID
LMFA01020289
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Daphne bholua (#546994)
Magnoliopsida (#3398)
Natural neo acids and neo alkanes: their analogs and derivatives.,
Lipids, 2006
Pubmed ID: 16808146
Astacus astacus (#6715)
Malacostraca (#6681)
Natural neo acids and neo alkanes: their analogs and derivatives.,
Lipids, 2006
Pubmed ID: 16808146

String Representations

InChiKey (Click to copy)
WPAIKZNPOIBQQC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-16(2,3)14-12-10-8-6-4-5-7-9-11-13-15(17)18/h4-14H2,1-3H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCCCC(C)(C)C)(=O)O

Other Databases

CHEBI ID
179745
PubChem CID
2802985

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
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
4th May 2021