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- ChemComp-88B: 4-diazanyl-4-oxidanylidene-butanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 88B
NameName: 4-diazanyl-4-oxidanylidene-butanoic acid

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Chemical information

Composition
Formula: C4H8N2O3 / Number of atoms: 17 / Formula weight: 132.118 / Formal charge: 0
Others

6scu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 88B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SCU
History
Create componentJul 25, 2019
Initial releaseAug 26, 2020
External linksUniChem / ChemSpider / BindingDB / ChEMBL / CompTox / 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

CACTVS 3.385NNC(=O)CCC(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)O)C(=O)NN

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SMILES CANONICAL

CACTVS 3.385NNC(=O)CCC(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)O)C(=O)NN

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InChI

InChI 1.03InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)

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InChIKey

InChI 1.03XRMBRQWBOICYRP-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6scu:
THERMOLYSIN IN COMPLEX WITH FRAGMENT J88

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