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- ChemComp-BH2: (3R)-3-hydroxy-L-aspartic acid -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: BH2
NameName: (3R)-3-hydroxy-L-aspartic acid

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Chemical information

Composition
Formula: C4H7NO5 / Number of atoms: 17 / Formula weight: 149.102 / Formal charge: 0
Others

2dde

ASP

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: D / Three letter code: BH2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2DDE / Parent comp.: ASP
History
Create componentJan 7, 2011
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / DrugBank / KEGG_Ligand / Metabolights / Nikkaji / PubChem / 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 12.01O=C(O)C(O)C(C(=O)O)N
CACTVS 3.370N[CH]([CH](O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(C(C(=O)O)O)(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.370N[C@@H]([C@@H](O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0[C@H]([C@H](C(=O)O)O)(C(=O)O)N

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InChI

InChI 1.03InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1

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InChIKey

InChI 1.03YYLQUHNPNCGKJQ-NHYDCYSISA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3R)-3-hydroxy-L-aspartic acid
OpenEye OEToolkits 1.7.0(2S,3R)-2-azanyl-3-hydroxy-butanedioic acid

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PDB entries

Showing all 1 items

PDB-4pb5:
D-threo-3-hydroxyaspartate dehydratase H351A mutant complexed with L-erythro-3-hydroxyaspartate

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