Structure Database (LMSD)

Common Name
6-hydroxy-4-Undecanolide
Systematic Name
6-hydroxy-4-Undecanolide
Synonyms
LM ID
LMFA07040031
Formula
C11H20O3
Exact Mass
Calculate m/z
200.141245
Sum Composition
FA 11:1;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
GNPDQWWIALTIDQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O3/c1-2-3-4-5-9(12)8-10-6-7-11(13)14-10/h9-10,12H,2-8H2,1H3
SMILES (Click to copy)
C(C1CCC(=O)O1)C(O)CCCCC

Other Databases

CHEBI ID
180326
PubChem CID
56936044

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 210.23
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.60
Molar Refractivity 54.90

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Created at
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Updated at
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