Structure Database (LMSD)

Common Name
3-oxo-5S-amino-hexanoic acid
Systematic Name
3-oxo-5S-amino-hexanoic acid
Synonyms
  • (5S)-5-Amino-3-oxohexanoic acid
LM ID
LMFA01060173
Status
Active
Exact Mass
Calculate m/z
145.073894
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FAASBXNEOGMQHS-BYPYZUCNSA-N
InChi (Click to copy)
InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
SMILES (Click to copy)
C([C@@H](N)C)C(=O)CC(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 144.45
Topological Polar Surface Area 80.39
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.05
Molar Refractivity 36.04

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Created at
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Updated at
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