Structure database (LMSD)

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LM IDLMFA01010013
Common NameTridecylic acid
Systematic Nametridecanoic acid
SynonymsC13:0
Exact Mass
214.1933 (neutral)    Calculate m/z:
FormulaC13H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
AbbrevFA 13:0
LIPIDBANK IDDFA0013
PubChem CID12530
KEGG IDC17076
HMDB IDHMDB0000910
CHEBI ID45919
PlantFA ID10033
SWISSLIPIDS IDSLM:000001198
CAYMAN ID19725
InChIKeySZHOJFHSIKHZHA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
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SMILES
C(CCC)CCCCCCCCC(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
248.40Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.38Molar
Refractivity
64.10