Structure Database (LMSD)

Common Name
12-tridecenoic acid
Systematic Name
12-tridecenoic acid
Synonyms
  • C13:1n-1
LM ID
LMFA01030046
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
FA 13:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Biological Context

12-Tridecenoic acid is a monounsaturated fatty acid. It is active against S. aureus (MIC = 1.17 mM).1 12-Tridecenoic acid (5, 10, and 25 mg/kg) inhibits gastric juice secretion in a rat model of gastric ulcers induced by pylorus ligation.2

This information has been provided by Cayman Chemical

References

1. Mimura, T., Kohda, I., Maeda, K., et al. Inhibitory effects of unsaturated fatty acids of trans-2-C10:1 to trans-2-C16:1 several C18:n and C20:n on gastric secretion and experimental ulceration in rats. J. Pharmacobiodyn. 6(8), 527-538 (1983).
2. Zhang, H., Zhang, L., Peng, L.-j., et al. Quantitative structure-activity relationships of antimicrobial fatty acids and derivatives against Staphylococcus aureus. J. Zhejiang Univ. Sci. B 13(2), 83-93 (2012).

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
PARCICAYFORNPH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)
SMILES (Click to copy)
C(CC=C)CCCCCCCCC(=O)O

Other Databases

CHEBI ID
186884
LIPIDBANK ID
DFA0085
PubChem CID
5282737
PlantFA ID
10034
Cayman ID
37601

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.16
Molar Refractivity 64.00

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Created at
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Updated at
25th Apr 2022