Structure database (LMSD)

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LM IDLMFA01030191
Common NameAlepric acid
Systematic Name9-(2-cyclopentenyl)-nonanoic acid
Synonyms2-cyclopentene-1-nonanoic acid; 9-(2-cyclopenten-1-yl)nonanoic acid; 9-
(cyclopent-2-enyl)nonanoic acid
Exact Mass
224.1776 (neutral)    Calculate m/z:
FormulaC14H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0262
PubChem CID5282854
PlantFA ID10218
InChIKeyDTHSUAKYTFUSQU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H24O2/c15-14(16)12-6-4-2-1-3-5-9-13-10-7-8-11-13/h7,10,13H,1-6,8-9,1
1-12H2,(H,15,16)
SMILESC1(C=CCC1)CCCCCCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings1Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
250.70Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.16Molar
Refractivity
66.44