Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01010015
Common NamePentadecylic acid
Systematic Namepentadecanoic acid
SynonymsC15:0
Exact Mass
242.2246 (neutral)    Calculate m/z:
FormulaC15H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0015
PubChem CID13849
KEGG IDC16537
HMDB IDHMDB0000826
CHEBI ID42504
PlantFA ID10043
SWISSLIPIDS IDSLM:000001199
CAYMAN ID17399
InChIKeyWQEPLUUGTLDZJY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,1
7)
SMILESC(CCCCC)CCCCCCCCC(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
283.00Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.16Molar
Refractivity
73.33