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- ChemComp-DHA: 2-AMINO-ACRYLIC ACID -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: DHA
NameName: 2-amino-acrylic acid / Synonyms: 2,3-DIDEHYDROALANINE

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Chemical information

Composition
Formula: C3H5NO2 / Number of atoms: 11 / Formula weight: 87.077 / Formal charge: 0
Others

1qow

SER

Type: PEPTIDE LINKING / PDB classification: ATOMP / One letter code: S / Three letter code: DHA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1QOW / Parent comp.: SER
History
Create componentNov 22, 1999
Modify parent residueJan 7, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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

ACDLabs 10.04O=C(O)C(=C)\N
CACTVS 3.341NC(=C)C(O)=O
OpenEye OEToolkits 1.5.0C=C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341NC(=C)C(O)=O
OpenEye OEToolkits 1.5.0C=C(C(=O)O)N

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InChI

InChI 1.03InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)

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InChIKey

InChI 1.03UQBOJOOOTLPNST-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-aminoprop-2-enoic acid
OpenEye OEToolkits 1.5.02-aminoprop-2-enoic acid

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PDB entries

Showing all 4 items

PDB-1lk9:
The Three-dimensional Structure of Alliinase from Garlic

PDB-6nv8:
Perdeuterated tyrosine phenol-lyase from Citrobacter freundii complexed with an aminoacrylate intermediate formed from S-ethyl-L-cysteine and 4-hydroxypyridine

PDB-7n2x:
The crystal structure of an FMN-dependent NADH:quinone oxidoreductase, AzoR from Escherichia coli

PDB-8is0:
Carbon Sulfoxide lyase - Y106F

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