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- ChemComp-13X: benzene-1,3,5-triol -

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Basic information

EntryDatabase: PDB chemical components / ID: 13X
NameName: benzene-1,3,5-triol / Synonyms: Phloroglucinol

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Chemical information

Composition
Formula: C6H6O3 / Number of atoms: 15 / Formula weight: 126.11 / Formal charge: 0
Others

4hdk

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 13X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4HDK
History
Create componentOct 5, 2012
Modify one letter codeOct 9, 2012
Initial releaseOct 19, 2012
Modify synonymsJun 5, 2020
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

ACDLabs 12.01Oc1cc(O)cc(O)c1
CACTVS 3.370Oc1cc(O)cc(O)c1
OpenEye OEToolkits 1.7.6c1c(cc(cc1O)O)O

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SMILES CANONICAL

CACTVS 3.370Oc1cc(O)cc(O)c1
OpenEye OEToolkits 1.7.6c1c(cc(cc1O)O)O

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InChI

InChI 1.03InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H

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InChIKey

InChI 1.03QCDYQQDYXPDABM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01benzene-1,3,5-triol
OpenEye OEToolkits 1.7.6benzene-1,3,5-triol

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PDB entries

Showing all 4 items

PDB-4hdk:
Crystal Structure of ArsAB in Complex with Phloroglucinol

PDB-5mg5:
A multi-component acyltransferase PhlABC from Pseudomonas protegens soaked with the monoacetylphloroglucinol (MAPG)

PDB-6bza:
Crystal structure of halogenase PltM in complex with phloroglucinol and FAD

PDB-6zzx:
Structure of low-light grown Chlorella ohadii Photosystem I

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