Structure Database (LMSD)

OH O
Common Name
Isogorlic acid
Systematic Name
13-(2-cyclopenten-1-yl)-4Z-tridecenoic acid
Synonyms
LM ID
LMFA01140035
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
FA 18:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
LZZANLYIVGPJEZ-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h6,8,11,14,17H,1-5,7,9-10,12-13,15-16H2,(H,19,20)/b8-6-
SMILES (Click to copy)
C(O)(=O)CC/C=C\CCCCCCCCC1CCC=C1

References

Other Databases

PubChem CID
131839790

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 317.26
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.49
Molar Refractivity 84.81

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Updated at
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