Structure database (LMSD)

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LM IDLMFA01060173
Common Name3-oxo-5S-amino-hexanoic acid
Systematic Name3-oxo-5S-amino-hexanoic acid
Synonyms(5S)-5-Amino-3-oxohexanoic acid
Exact Mass
145.0739 (neutral)    Calculate m/z:
FormulaC6H11NO3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
Alternative ClassesAmino fatty acids[FA0110]
PubChem CID440077
KEGG IDC03656
HMDB IDHMDB0012131
CHEBI ID27713
InChIKeyFAASBXNEOGMQHS-BYPYZUCNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
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SMILES
C([C@@H](N)C)C(=O)CC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
144.45Topological Polar
Surface Area
80.39Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP0.05Molar
Refractivity
36.04