Structure Database (LMSD)

H OH O
Common Name
Gorlic acid
Systematic Name
13R-(2-cyclopenten-1-yl)-6Z-tridecenoic acid
Synonyms
LM ID
LMFA01140020
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)
XADKGDBMULSEAC-MMTGSJLXSA-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/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2-/t17-/m0/s1
SMILES (Click to copy)
C(O)(=O)CCCC/C=C\CCCCCC[C@@]1([H])C=CCC1

References

Other Databases

CHEBI ID
61676
PubChem CID
51351687
PlantFA ID
10227

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 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.49
Molar Refractivity 84.81

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Created at
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Updated at
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