Structure database (LMSD)

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LM IDLMFA01030046
Common Name-
Systematic Name12-tridecenoic acid
SynonymsC13:1n-1
Exact Mass
212.1776 (neutral)    Calculate m/z:
FormulaC13H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0085
PubChem Compound ID (CID)5282737
PlantFA ID10034
InChIKeyPARCICAYFORNPH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)
SMILESC=CCCCCCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
245.76Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.16Molar
Refractivity
64.00    
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