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- ChemComp-7YL: (2R)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 7YL
NameName: (2R)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid

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Chemical information

Composition
Formula: C5H5NO3 / Number of atoms: 14 / Formula weight: 127.098 / Formal charge: 0
Others

5wxs

Type: peptide-like / PDB classification: ATOMP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5WXS
History
Create componentFeb 14, 2017
Initial releaseJul 11, 2018
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 3.385OC(=O)[CH]1NC(=O)C=C1
OpenEye OEToolkits 2.0.6C1=CC(=O)NC1C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@@H]1NC(=O)C=C1
OpenEye OEToolkits 2.0.6C1=CC(=O)N[C@H]1C(=O)O

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InChI

InChI 1.03InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-3H,(H,6,7)(H,8,9)/t3-/m1/s1

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InChIKey

InChI 1.03BAQXAKWDKIIPEC-GSVOUGTGSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(2~{R})-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid

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PDB entries

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