Structure Database (LMSD)

OH O OH
Common Name
2-hydroxy hendecanoic acid
Systematic Name
2-hydroxy-undecanoic acid
Synonyms
LM ID
LMFA01050034
Formula
C11H22O3
Exact Mass
Calculate m/z
202.156895
Sum Composition
FA 11:0;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]

String Representations

InChiKey (Click to copy)
MNRBGFKCVTVNBA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
SMILES (Click to copy)
C(CCCCCCCC)C(O)C(=O)O

References

Other Databases

HMDB ID
HMDB0059736
CHEBI ID
178413
LIPIDBANK ID
DFA0300
PubChem CID
5282899

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 222.59
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.86
Molar Refractivity 56.76

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Created at
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Updated at
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