Structure database (LMSD)

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LM IDLMFA01030364
Common Name7Z-nonadecenoic acid
Systematic Name7Z-nonadecenoic acid
SynonymsC19:1n-12
Exact Mass
296.2715 (neutral)    Calculate m/z:
FormulaC19H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID7567
PubChem CID5312515
InChIKeyMBSJMRUSWQBXNI-SEYXRHQNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h12-13H
,2-11,14-18H2,1H3,(H,20,21)/b13-12-
SMILESC(CCCCC/C=C\CCCCCCCCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
349.56Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.50Molar
Refractivity
91.70