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- ChemComp-DYA: DIDEHYDROASPARTATE -

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Basic information

EntryDatabase: PDB chemical components / ID: DYA
NameName: didehydroaspartate

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Chemical information

Composition
Formula: C4H5NO4 / Number of atoms: 14 / Formula weight: 131.087 / Formal charge: 0
Others

5a0y

ASP

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: D / Three letter code: DYA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5A0Y / Parent comp.: ASP
History
Create componentApr 24, 2015
Initial releaseApr 13, 2016
Other modificationApr 17, 2019
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / ChEBI / PubChem / SureChEMBL / 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 3.385NC(=CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(=C(C(=O)O)N)C(=O)O

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SMILES CANONICAL

CACTVS 3.385N\C(=C/C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(=C(/C(=O)O)\N)\C(=O)O

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InChI

InChI 1.03InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1-

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InChIKey

InChI 1.03ABZHGLSYGDUSDL-UPHRSURJSA-N

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PDB entries

Showing all 1 items

PDB-6nsu:
Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States

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