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- ChemComp-V9O: 7-[5-(2-azanylethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl... -

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Basic information

EntryDatabase: PDB chemical components / ID: V9O
NameName: 7-[5-(2-azanylethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid

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Chemical information

Composition
Formula: C24H17NO11 / Number of atoms: 53 / Formula weight: 495.392 / Formal charge: 0
Others

8jyi

Type: non-polymer / PDB classification: HETAIN / Three letter code: V9O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8JYI
History
Create componentJul 11, 2023
Initial releaseAug 16, 2023
External linksUniChem / ChemSpider / ChEMBL / Nikkaji / PubChem / 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 3.385NCCc1ccc(O)c(c1)c2c(O)c(O)c3C(=O)c4cc(O)c(C(O)=O)c(C(O)=O)c4C(=O)c3c2O
OpenEye OEToolkits 2.0.7c1cc(c(cc1CCN)c2c(c3c(c(c2O)O)C(=O)c4cc(c(c(c4C3=O)C(=O)O)C(=O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385NCCc1ccc(O)c(c1)c2c(O)c(O)c3C(=O)c4cc(O)c(C(O)=O)c(C(O)=O)c4C(=O)c3c2O
OpenEye OEToolkits 2.0.7c1cc(c(cc1CCN)c2c(c3c(c(c2O)O)C(=O)c4cc(c(c(c4C3=O)C(=O)O)C(=O)O)O)O)O

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InChI

InChI 1.06InChI=1S/C24H17NO11/c25-4-3-7-1-2-10(26)8(5-7)13-20(30)17-16(22(32)21(13)31)18(28)9-6-11(27)14(23(33)34)15(24(35)36)12(9)19(17)29/h1-2,5-6,26-27,30-32H,3-4,25H2,(H,33,34)(H,35,36)

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InChIKey

InChI 1.06QPCFHDQETKDGHT-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8jyi:
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid E

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