Structure Database (LMSD)

OH O OH
Common Name
2-hydroxy-10-undecenoic acid
Systematic Name
2-hydroxy-10-undecenoic acid
Synonyms
LM ID
LMFA01050164
Formula
C11H20O3
Exact Mass
Calculate m/z
200.141245
Sum Composition
FA 11:1;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)
NOAFRVYUFCNMLG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h2,10,12H,1,3-9H2,(H,13,14)
SMILES (Click to copy)
C(C(O)CCCCCCCC=C)(=O)O

References

Other Databases

LIPIDAT ID
4999
CHEBI ID
138427
PubChem CID
5312742

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 219.95
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.63
Molar Refractivity 56.67

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Created at
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Updated at
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