Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100064
Common NameMyristamide
Systematic Nametetradecamide
Synonyms-
Exact Mass
227.2249 (neutral)    Calculate m/z:
FormulaC14H29NO
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102], Hydroxy fatty acids[FA0105], Carbocyclic fatty acids[FA0114]
PubChem CID69492
InChIKeyQEALYLRSRQDCRA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)
SMILESO=C(CCCCCCCCCCCCC)N
StatusActive
ReferencesIdentification of toxic fatty amides isolated from the harmful alga Prymnesium parvum carter. Matthew J. Bertin, Paul V. Zimba, Kevin R. Beauchesne, kevin M. Huncik and Peter D.R. Moeller. Harmful Algae. Volume 20, 2012, pp. 111-116.


https://www.sciencedirect.com/science/article/pii/S1568988312001424?via%3Dihub

Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
267.91Topological Polar
Surface Area
43.09Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.17Molar
Refractivity
70.27