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
LM ID
LMFA01060176
Formula
C10H17NO4
Exact Mass
Calculate m/z
215.115759
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]
Amino fatty acids [FA0110]
Epoxy fatty acids [FA0107]

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

References

Other Databases

KEGG ID
C12027
CHEBI ID
165431
PubChem CID
16061039

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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