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- ChemComp-ENC: ETHYL ISOCYANIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: ENC
NameName: ethyl isocyanide

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Chemical information

Composition
Formula: C3H6N / Number of atoms: 10 / Formula weight: 56.086 / Formal charge: 1
Others

109m

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ENC / Model coordinates PDB-ID: 109M
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / 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 10.04C#[N+]CC
CACTVS 3.341CC[N+]#C
OpenEye OEToolkits 1.5.0CC[N+]#C

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SMILES CANONICAL

CACTVS 3.341CC[N+]#C
OpenEye OEToolkits 1.5.0CC[N+]#C

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InChI

InChI 1.03InChI=1S/C3H6N/c1-3-4-2/h2H,3H2,1H3/q+1

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InChIKey

InChI 1.03JEGVKBYNUPNGJU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-methylidyneethanaminium
OpenEye OEToolkits 1.5.0ethyl-methylidyne-azanium

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PDB entries

Showing all 5 items

PDB-106m:
SPERM WHALE MYOGLOBIN V68F ETHYL ISOCYANIDE AT PH 9.0

PDB-109m:
SPERM WHALE MYOGLOBIN D122N ETHYL ISOCYANIDE AT PH 9.0

PDB-2hbc:
HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES

PDB-2mya:
HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES

PDB-2mye:
HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES

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