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- ChemComp-AKB: 2-AMINO-3-KETOBUTYRIC ACID -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: AKB
NameName: 2-amino-3-ketobutyric acid

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Chemical information

Composition
Formula: C4H7NO3 / Number of atoms: 15 / Formula weight: 117.103 / Formal charge: 0
Others

1fc4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AKB / Model coordinates PDB-ID: 1FC4
History
Create componentAug 4, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / DrugBank / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(C)C(N)C(=O)O
CACTVS 3.341CC(=O)[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341CC(=O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1

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InChIKey

InChI 1.03SAUCHDKDCUROAO-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2-amino-3-oxobutanoic acid
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-oxo-butanoic acid

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PDB entries

Showing all 2 items

PDB-1fc4:
2-AMINO-3-KETOBUTYRATE COA LIGASE

PDB-5y1g:
Monomeric L-threonine 3-dehydrogenase from metagenome database (AKB and NADH bound form)

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