Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030048
Common NameTsuzuic acid
Systematic Name4-tetradecenoic acid
SynonymsC14:1n-10
Exact Mass
226.1933 (neutral)    Calculate m/z:
FormulaC14H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 14:1
LIPIDBANK IDDFA0087
PubChem CID5282739
HMDB IDHMDB05051
PlantFA ID10037
InChIKeyCUVLOCDGQCUQSI-ZHACJKMWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-11H,2-9,12-13H2,1H3,(H,15,16)/b11-10+
Click to highlight InChI
SMILES
C(CCCC)CCCC/C=C/CCC(=O)O
Click to highlight SMILES
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