Structure Database (LMSD)
Common Name
4-octadecylenic acid
Systematic Name
4-octadecenoic acid
Synonyms
- C18:1n-14
3D model of 4-octadecylenic 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)
OBNDIDKDLXSSCB-CCEZHUSRSA-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/h14-15H,2-13,16-17H2,1H3,(H,19,20)/b15-14+
SMILES (Click to copy)
C(CCCCCCCC)CCCC/C=C/CCC(=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