Structure Database (LMSD)

Common Name
6-hydroxy-4-tridecanolide
Systematic Name
6-hydroxy-4-tridecanolide
Synonyms
LM ID
LMFA07040044
Formula
C13H24O3
Exact Mass
Calculate m/z
228.172545
Sum Composition
FA 13:1;O
Status
Active
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)
YVBBRRDESNXXTK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O3/c1-2-3-4-5-6-7-11(14)10-12-8-9-13(15)16-12/h11-12,14H,2-10H2,1H3
SMILES (Click to copy)
C1(OC(CC(O)CCCCCCC)CC1)=O

Other Databases

CHEBI ID
184440
PubChem CID
56936047

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 244.83
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.38
Molar Refractivity 64.14

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Created at
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Updated at
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