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- ChemComp-IVO: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydro... -

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Basic information

EntryDatabase: PDB chemical components / ID: IVO
NameName: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

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Chemical information

Composition
Formula: C8H10N2O5 / Number of atoms: 25 / Formula weight: 214.175 / Formal charge: 0
Others

7yjc

Type: non-polymer / PDB classification: HETAIN / Three letter code: IVO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7YJC
History
Create componentJul 20, 2022
Initial releaseDec 7, 2022
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 3.385O[CH]1[CH](O)[CH](n2ccnc2[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.7c1cn2c(n1)C(C(C(C2C(=O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385O[C@H]1[C@H](O)[C@H](n2ccnc2[C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O

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InChI

InChI 1.06InChI=1S/C8H10N2O5/c11-4-3(8(14)15)10-2-1-9-7(10)6(13)5(4)12/h1-6,11-13H,(H,14,15)/t3-,4+,5-,6+/m0/s1

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InChIKey

InChI 1.06YLDYISMFCJKSRS-BGPJRJDNSA-N

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PDB entries

Showing all 1 items

PDB-7yjc:
Crystal structure of Human HPSE1 in complex with inhibitor

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