Structure Database (LMSD)
Common Name
Isomycomycin
Systematic Name
3Z,5Z-tridecadiene-7,9,11-triynoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Isomycomycin
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
Filter by species:
ⓘ
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.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
HCPADGVIDOCFKJ-XESWYYRISA-N
InChi (Click to copy)
InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h8-11H,12H2,1H3,(H,14,15)/b9-8-,11-10-
SMILES (Click to copy)
C(C/C=C\C=C/C#CC#CC#CC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
227.28
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.6
Molar Refractivity
59.53
Admin
Created at
-
Updated at
25th Apr 2022