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- ChemComp-999: (3S)-3-hydroxy-D-aspartic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 999
NameName: (3S)-3-hydroxy-D-aspartic acid

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Chemical information

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

3wqd

ASP

Type: D-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: 999 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WQD / Parent comp.: ASP
History
Create componentJan 31, 2014
Initial releaseJan 28, 2015
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

ACDLabs 12.01O=C(O)C(O)C(C(=O)O)N
CACTVS 3.385N[CH]([CH](O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)O)(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385N[C@H]([C@H](O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6[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+/m1/s1

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InChIKey

InChI 1.03YYLQUHNPNCGKJQ-NCGGTJAESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3S)-3-hydroxy-D-aspartic acid
OpenEye OEToolkits 1.7.6(2R,3S)-2-azanyl-3-oxidanyl-butanedioic acid

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PDB entries

Showing all 1 items

PDB-3wqd:
D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23 complexed with D-erythro-3-hydroxyaspartate

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