Structure Database (LMSD)

Common Name
N-stearoyl glycine
Systematic Name
N-octadecanoyl-glycine
Synonyms
  • EMA-1
  • Elmiric acid
LM ID
LMFA08020077
Formula
C20H39NO3
Exact Mass
Calculate m/z
341.292994
Sum Composition
NA 20:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

String Representations

InChiKey (Click to copy)
UEYROBDNFIWNST-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)
SMILES (Click to copy)
C(CNC(CCCCCCCCCCCCCCCCC)=O)(=O)O

References

Other Databases

HMDB ID
HMDB0013308
CHEBI ID
136623
PubChem CID
95070

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 386.65
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.73
Molar Refractivity 100.68

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Updated at
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