Structure database (LMSD)

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LM IDLMFA01100036
Common Name2-amino-3-oxo-hexanedioic acid
Systematic Name2-amino-3-oxo-hexanedioic acid
Synonyms2-Amino-3-oxohexanedioic acid
Exact Mass
175.0481 (neutral)    Calculate m/z:
FormulaC6H9NO5
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
Alternative ClassesOxo fatty acids[FA0106]
PubChem CID440714
KEGG IDC05520
HMDB IDHMDB0060273
CHEBI ID28095
InChIKeyHXWZRYKURKEOSO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)
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SMILES
OC(=O)C(N)C(=O)CCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
159.39Topological Polar
Surface Area
117.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP-0.88Molar
Refractivity
38.00