Structure Database (LMSD)

Common Name
Margaroyl-EA
Systematic Name
N-(Heptadecanoyl)-ethanolamine
Synonyms
  • Margaroyl-ethanolamine
LM ID
LMFA08040049
Status
Active
Exact Mass
Calculate m/z
313.298079
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GCCFMSAXQJECNH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-17-18-21/h21H,2-18H2,1H3,(H,20,22)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCC)C(=O)NCCO

References

Other Databases

PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 363.20
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.54
Molar Refractivity 96.00

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Created at
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Updated at
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