Structure database (LMSD)

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LM IDLMFA01031160
Common Name2Z-tridecenoic acid
Systematic Name2Z-tridecenoic acid
Synonyms-
Exact Mass
212.1776 (neutral)    Calculate m/z:
FormulaC13H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 13:1
PubChem CID5356766
InChIKeyGQVYBECSNBLQJV-QXMHVHEDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/b12-11-
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SMILES
C(=C/CCCCCCCCCC)/C(=O)O
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StatusActive
ReferencesDiffusible signal factor (DSF) quorum sensing signal and structurally related molecules enhance the antimicrobial efficacy of antibiotics against some bacterial pathogens. Yinyue Deng, Amy Lim, Jasmine Lee, Shaohua Chen, Shuwen An, Yi-Hu Dong and Lian-Hui Zhang.
BMC (BioMedical central) Microbiology. Volume 14. Issue 51. 2014. DOI: https://doi.org/10.1186/1471-2180-14-51

https://bmcmicrobiol.biomedcentral.com/articles/10.1186/1471-2180-14-51
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
245.76Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.16Molar
Refractivity
64.00