Structure Database (LMSD)
Common Name
15Z-octadecenoic acid
Systematic Name
15Z-octadecenoic acid
Synonyms
- C18:1n-3
3D model of 15Z-octadecenoic 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)
KSIKGJKZYDOVFA-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,5-17H2,1H3,(H,19,20)/b4-3-
SMILES (Click to copy)
C(CCCCCCCCCCCCC/C=C\CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
332.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.11
Molar Refractivity
87.09
Admin
Created at
-
Updated at
25th Apr 2022