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- ChemComp-7UC: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 7UC
NameName: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid

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Chemical information

Composition
Formula: C6H11NO4 / Number of atoms: 22 / Formula weight: 161.156 / Formal charge: 0
Others

5wsy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7UC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5WSY
History
Create componentDec 14, 2016
Initial releaseMay 31, 2017
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385C[CH](CC(O)=O)NCC(O)=O
OpenEye OEToolkits 2.0.6CC(CC(=O)O)NCC(=O)O

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SMILES CANONICAL

CACTVS 3.385C[C@H](CC(O)=O)NCC(O)=O
OpenEye OEToolkits 2.0.6C[C@H](CC(=O)O)NCC(=O)O

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InChI

InChI 1.03InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1

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InChIKey

InChI 1.03VRGLRLBEHJTRMK-SCSAIBSYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid

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PDB entries

Showing all 5 items

PDB-5wsy:
The complex structure of SAV606 with N-carboxymethyl-3-aminobutyrate

PDB-6l6x:
The structure of ScoE with substrate

PDB-6xn6:
ScoE with the CABA substrate bound and His299 and Arg157 flipped out

PDB-6xoj:
ScoE with the CABA substrate bound and alpha-ketoglutarate in an off-site

PDB-6xpa:
ScoE with oxovanadium and the CABA substrate bound and His299 and Arg157 flipped out

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