Structure Database (LMSD)
Common Name
N-palmitoyl glycine
Systematic Name
N-hexadecanoyl-glycine
Synonyms
- EMA-1
- Elmiric acid
LM ID
LMFA08020079
Formula
Exact Mass
Calculate m/z
313.261694
Sum Composition
Status
Active
3D model of N-palmitoyl glycine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
KVTFEOAKFFQCCX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)
SMILES (Click to copy)
C(CNC(CCCCCCCCCCCCCCC)=O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
352.05
Topological Polar Surface Area
66.40
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.95
Molar Refractivity
91.45
Admin
Created at
-
Updated at
19th Feb 2024