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- ChemComp-FXK: 1~{H}-indol-3-ylmethanol -

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Basic information

EntryDatabase: PDB chemical components / ID: FXK
NameName: 1~{H}-indol-3-ylmethanol

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Chemical information

Composition
Formula: C9H9NO / Number of atoms: 20 / Formula weight: 147.174 / Formal charge: 0
Others

6hbp
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FXK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6HBP
History
Create componentAug 13, 2018
Initial releaseMay 19, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / Metabolights / Nikkaji / PubChem / PubChem_TPharma / 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 3.385OCc1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(c[nH]2)CO

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SMILES CANONICAL

CACTVS 3.385OCc1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(c[nH]2)CO

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InChI

InChI 1.03InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2

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InChIKey

InChI 1.03IVYPNXXAYMYVSP-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6zlb:
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with Indole-3-carbinol

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