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
Formula
C6H11NO3
Exact Mass
Calculate m/z
145.073894
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
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

Other Databases

KEGG ID
C03656
HMDB ID
HMDB0012131
CHEBI ID
27713
PubChem CID
440077
PDB ID
KMH

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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Updated at
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