Structure database (LMSD)

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LM IDLMFA01030047
Common Name-
Systematic Name2-tetradecenoic acid
SynonymsC14:1n-12
Exact Mass
226.1933 (neutral)    Calculate m/z:
FormulaC14H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0086
PubChem Compound ID (CID)5282738
HMDB IDHMDB10732
CHEBI ID37271
InChIKeyIBYFOBGPNPINBU-OUKQBFOZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,
15,16)/b13-12+
SMILESCCCCCCCCCCC/C=C/C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
263.06Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.55Molar
Refractivity
68.62    
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