Structure Database (LMSD)
Common Name
2-amino-8-oxo-9,10-epoxy-decanoic acid
Systematic Name
2-amino-8-oxo-9,10-epoxy-decanoic acid
Synonyms
- 2-Amino-9,10-epoxy-8-oxodecanoic acid
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-amino-8-oxo-9,10-epoxy-decanoic 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
String Representations
InChiKey (Click to copy)
PFDHVDFPTKSEKN-YOXFSPIKSA-N
InChi (Click to copy)
InChI=1S/C10H17NO4/c11-7(10(13)14)4-2-1-3-5-8(12)9-6-15-9/h7,9H,1-6,11H2,(H,13,14)/t7-,9?/m1/s1
SMILES (Click to copy)
OC(=O)[C@H](N)CCCCCC(=O)C1OC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
210.08
Topological Polar Surface Area
92.92
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
1.17
Molar Refractivity
54.96
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Created at
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Updated at
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