Structure Database (LMSD)

OH O NH 2 O
Common Name
2-amino-4-oxo-pentanoic acid
Systematic Name
2-amino-4-oxo-pentanoic acid
Synonyms
  • 2-Amino-4-oxopentanoic acid
LM ID
LMFA01060171
Formula
C5H9NO3
Exact Mass
Calculate m/z
131.058244
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]

String Representations

InChiKey (Click to copy)
QUCHWTCTBHQQDU-BYPYZUCNSA-N
InChi (Click to copy)
InChI=1S/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
SMILES (Click to copy)
OC(=O)[C@@H](N)CC(=O)C

References

Other Databases

KEGG ID
C03341
CHEBI ID
15914
PubChem CID
11029881

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 127.15
Topological Polar Surface Area 80.39
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP -0.34
Molar Refractivity 31.42

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Created at
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Updated at
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