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- ChemComp-CUW: (2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: CUW
NameName: (2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid
Synonyms: 3-hydroxy-L-lysine

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Chemical information

Composition
Formula: C6H14N2O3 / Number of atoms: 25 / Formula weight: 162.187 / Formal charge: 0
Others

6f6j

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CUW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6F6J
History
Create componentDec 5, 2017
Initial releaseNov 14, 2018
Modify synonymsMar 1, 2021
Modify backboneNov 3, 2023
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 3.385NCCC[CH](O)[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6C(CC(C(C(=O)O)N)O)CN

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SMILES CANONICAL

CACTVS 3.385NCCC[C@@H](O)[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6C(C[C@H]([C@@H](C(=O)O)N)O)CN

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InChI

InChI 1.03InChI=1S/C6H14N2O3/c7-3-1-2-4(9)5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1

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InChIKey

InChI 1.03YSVMULOOWPBERR-UHNVWZDZSA-N

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PDB entries

Showing all 1 items

PDB-6f6j:
Crystal structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/succinate/(3S)-3-hydroxy-L-lysine

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