Structure database (LMSD)

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LM IDLMFA01030031
Common NameObtusilic acid
Systematic Name4E-decenoic acid
SynonymsC10:1n-6
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0070
PubChem CID5282726
HMDB IDHMDB04980
CHEBI ID32380
InChIKeyXKZKQTCECFWKBN-VOTSOKGWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)/b7-6
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SMILESC(CC/C=C/CCC(=O)O)CC
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
193.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.99Molar
Refractivity
50.15