Structure database (LMSD)

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LM IDLMFA01030248
Common NamePhyseteric acid
Systematic Name5Z-tetradecenoic acid
SynonymsC14:1n-9
Exact Mass
226.1933 (neutral)    Calculate m/z:
FormulaC14H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID1758
PubChem CID5312400
HMDB IDHMDB0000521
PlantFA ID10038
InChIKeyAFGUVBVUFZMJMX-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3
,(H,15,16)/b10-9-
SMILESC(CCC/C=C\CCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
263.06Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.55Molar
Refractivity
68.62