Structure Database (LMSD)
Common Name
6,9-heptadecadiynoic acid
Systematic Name
6,9-heptadecadiynoic acid
Synonyms
- 6,9-Heptadecadiynoic acid
3D model of 6,9-heptadecadiynoic 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)
ATMMZSXCKJDWSQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-7,10,13-16H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCCCC#CCC#CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
307.04
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.39
Molar Refractivity
79.65
Admin
Created at
-
Updated at
25th Apr 2022