Structure Database (LMSD)
Common Name
Ximenynic acid
Systematic Name
11E-octadecen-9-ynoic acid
Synonyms
- Acetylenic acids
- 11-Octadecen-9-ynoic acid, (E)-
- Santalbic acid
- trans-11-Octadecen-9-ynoic acid
- Ximeninic acid
- Agonandoic acid
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VENIIVIRETXKSV-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)/b8-7+
SMILES (Click to copy)
C(CCCCCCCC#C/C=C/CCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
326.98
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.33
Molar Refractivity
85.63
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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Admin
Created at
-
Updated at
25th Apr 2022