Structure Database (LMSD)

OH O OH
Common Name
Auricolic acid
Systematic Name
14-hydroxy-11Z,17Z-eicosadienoic acid
Synonyms
LM ID
LMFA01050431
Formula
C20H36O3
Exact Mass
Calculate m/z
324.266445
Sum Composition
FA 20:2;O
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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
GWEIHUNYMRRZJJ-MOAWTDCJSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h3-4,11,14,19,21H,2,5-10,12-13,15-18H2,1H3,(H,22,23)/b4-3-,14-11-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\CC(O)CC/C=C\CC)(=O)O

References

Other Databases

CHEBI ID
186663
PubChem CID
73242169
PlantFA ID
10289

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 373.01
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.92
Molar Refractivity 98.13

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Created at
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Updated at
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