Structure database (LMSD)

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LM IDLMFA01140020
Common NameGorlic acid
Systematic Name13R-(2-cyclopenten-1-yl)-6Z-tridecenoic acid
Synonyms-
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID51351687
PlantFA ID10227
InChIKeyXADKGDBMULSEAC-MMTGSJLXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11
,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2-/t17-/m0/s1
SMILESC(O)(=O)CCCC/C=C\CCCCCC[C@@]1([H])C=CCC1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
317.26Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.49Molar
Refractivity
84.81