Structure database (LMSD)

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LM IDLMFA01140045
Common NameOncobic acid
Systematic Name15-(2-cyclopenten-1-yl)-8Z-pentadecenoic acid
Synonyms8-Pentadecenoic acid, 15-(2-cyclopenten-1-yl)-, (8Z)-; 8,9-Didehydro-2-
cyclopentene-1-pentadecanoic acid; 15-(2-Cyclopenten-1-yl)-8-pentadecenoic
acid; (2-Cyclopentene-1-)-8c-pentadecenoic acid; 15-(2'-Cyclopenten-1'-yl)-8c-
pentadecensaeure
Exact Mass
306.2559 (neutral)    Calculate m/z:
FormulaC20H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID131839794
PlantFA ID10231
InChIKeyKAKYPXHOBZXCNY-UPHRSURJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h
1-2,13,16,19H,3-12,14-15,17-18H2,(H,21,22)/b2-1-
SMILESC(O)(=O)CCCCCC/C=C\CCCCCCC1CCC=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
351.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.27Molar
Refractivity
94.04