Structure Database (LMSD)
Common Name
Isotridecenoic acid
Systematic Name
11-tridecenoic acid
Synonyms
- C13:1n-2
3D model of Isotridecenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
GMIPYROQJHDYBM-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-3H,4-12H2,1H3,(H,14,15)/b3-2+
SMILES (Click to copy)
C(/C=C/C)CCCCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
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
Admin
Created at
-
Updated at
25th Apr 2022