Structure Database (LMSD)

OH OH O OH
Common Name
11,12-dihydroxy arachidic acid
Systematic Name
11,12-dihydroxy-eicosanoic acid
Synonyms
LM ID
LMFA01050095
Formula
C20H40O4
Exact Mass
Calculate m/z
344.29266
Sum Composition
FA 20:0;O2
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]

String Representations

InChiKey (Click to copy)
DQAUXZPAFJGMFY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h18-19,21-22H,2-17H2,1H3,(H,23,24)
SMILES (Click to copy)
C(C(O)C(O)CCCCCCCC)CCCCCCCCC(=O)O

References

Other Databases

LIPIDBANK ID
DFA0361
PubChem CID
5282932
PlantFA ID
10508

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 387.08
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.63
Molar Refractivity 100.22

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Created at
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Updated at
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