Structure Database (LMSD)

Common Name
3S-hydroxy-undecanoic acid
Systematic Name
3S-hydroxy-undecanoic acid
Synonyms
  • Undecanoic acid, 3-hydroxy-, (S)-
LM ID
LMFA01050327
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)
FARPMBPKLYEDIL-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
SMILES (Click to copy)
C(C[C@@H](O)CCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4994
CHEBI ID
179317
PubChem CID
5312873

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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