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- ChemComp-5KC: (2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoi... -

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Basic information

EntryDatabase: PDB chemical components / ID: 5KC
NameName: (2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid

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Chemical information

Composition
Formula: C6H12N2O5 / Number of atoms: 25 / Formula weight: 192.17 / Formal charge: 0
Others

7v4f

Type: non-polymer / PDB classification: HETAIN / Three letter code: 5KC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7V4F
History
Create componentAug 20, 2021
Initial releaseFeb 23, 2022
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385N[CH]([CH](O)CNCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(C(C(C(=O)O)N)O)NCC(=O)O

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SMILES CANONICAL

CACTVS 3.385N[C@@H]([C@@H](O)CNCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O

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InChI

InChI 1.03InChI=1S/C6H12N2O5/c7-5(6(12)13)3(9)1-8-2-4(10)11/h3,5,8-9H,1-2,7H2,(H,10,11)(H,12,13)/t3-,5-/m0/s1

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InChIKey

InChI 1.03ITNGKQLAUYSKRS-UCORVYFPSA-N

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PDB entries

Showing all 1 items

PDB-7v4f:
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction

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