Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170028
Common NameHeptadecanedioic acid
Systematic NameHeptadecanedioic acid
Synonyms-
Exact Mass
300.2301 (neutral)    Calculate m/z:
FormulaC17H32O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID8337
PubChem CID3083765
InChIKeyQCNWZROVPSVEJA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H32O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-15H2
,(H,18,19)(H,20,21)
SMILESC(CCCCCCCCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
332.54Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP5.01Molar
Refractivity
84.53