Structure Database (LMSD)
Common Name
Antibiotic LA-1
Systematic Name
9-oxo-2Z,4,5,7Z-decatetraenoic acid
Synonyms
3D model of Antibiotic LA-1
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)
WLUIOVBNENBQAH-SFECMWDFSA-N
InChi (Click to copy)
InChI=1S/C10H10O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h3-8H,1H3,(H,12,13)/b7-5-,8-6-
SMILES (Click to copy)
C(/C=C\C=C=C/C=C\C(=O)C)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
192.09
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.48
Molar Refractivity
49.25
Admin
Created at
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Updated at
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