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- ChemComp-6R7: 5-nitrosalicylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 6R7
NameName: 5-nitrosalicylic acid / Synonyms: 5-nitro-2-oxidanyl-benzoic acid

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Chemical information

Composition
Formula: C7H5NO5 / Number of atoms: 18 / Formula weight: 183.118 / Formal charge: 0
Others

5k8o

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6R7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5K8O
History
Create componentMay 31, 2016
Modify synonymsJun 1, 2016
Initial releaseOct 5, 2016
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / Metabolights / NMRShiftDB / PubChem / PubChem_TPharma / 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 3.385OC(=O)c1cc(ccc1O)[N+]([O-])=O
OpenEye OEToolkits 2.0.5c1cc(c(cc1[N+](=O)[O-])C(=O)O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1cc(ccc1O)[N+]([O-])=O
OpenEye OEToolkits 2.0.5c1cc(c(cc1[N+](=O)[O-])C(=O)O)O

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InChI

InChI 1.03InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)

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InChIKey

InChI 1.03PPDRLQLKHRZIJC-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-5k8o:
Mn2+/5NSA-bound 5-nitroanthranilate aminohydrolase

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