Structure database (LMSD)

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LM IDLMFA01030057
Common Nametrans-9-palmitoleic acid (W)
Systematic Name9E-hexadecenoic acid
Synonymstrans-9-hexadecenoic acid; C16:1n-7; palmitelaidic acid
Exact Mass
254.2246 (neutral)    Calculate m/z:
FormulaC16H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0096
PubChem Compound ID (CID)5282745
KEGG IDC08362
HMDB IDHMDB03229
CHEBI ID28716
PlantFA ID10052
InChIKeySECPZKHBENQXJG-BQYQJAHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2
,1H3,(H,17,18)/b8-7+
SMILESCCCCCC/C=C/CCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
297.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.33Molar
Refractivity
77.85    
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