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- ChemComp-MCH: trichloromethane -

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Basic information

EntryDatabase: PDB chemical components / ID: MCH
NameName: trichloromethane / Synonyms: Chloroform CHCl3

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Chemical information

Composition
Formula: CHCl3 / Number of atoms: 5 / Formula weight: 119.378 / Formal charge: 0
Others

3g4q

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MCH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3G4Q
History
Create componentFeb 16, 2009
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / 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

ACDLabs 10.04ClC(Cl)Cl
CACTVS 3.341ClC(Cl)Cl
OpenEye OEToolkits 1.5.0C(Cl)(Cl)Cl

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SMILES CANONICAL

CACTVS 3.341ClC(Cl)Cl
OpenEye OEToolkits 1.5.0C(Cl)(Cl)Cl

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InChI

InChI 1.03InChI=1S/CHCl3/c2-1(3)4/h1H

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InChIKey

InChI 1.03HEDRZPFGACZZDS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04trichloromethane
OpenEye OEToolkits 1.5.0trichloromethane

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PDB entries

Showing all 1 items

PDB-3g4q:
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroform bound to the XE4 cavity

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