Structure Database (LMSD)
Common Name
Margaroleic acid
Systematic Name
9Z-heptadecenoic acid
Synonyms
- cis-9-heptadecenoic acid
- C17:1n-8
- 9-heptadecylenic acid
3D model of Margaroleic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
QSBYPNXLFMSGKH-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8-
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C\CCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
314.96
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.72
Molar Refractivity
82.47
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