Structure database (LMSD)

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LM IDLMFA01030282
Common Name10E-heptadecenoic acid
Systematic Name10E-heptadecenoic acid
SynonymsC17:1n-7
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID7546
PubChem CID5312434
CAYMAN ID22468
InChIKeyGDTXICBNEOEPAZ-BQYQJAHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-1
6H2,1H3,(H,18,19)/b8-7+
SMILESC(CCCCCCCC/C=C/CCCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
314.96Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.72Molar
Refractivity
82.47