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- ChemComp-9L6: cyclopropylmethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: 9L6
NameName: cyclopropylmethanamine

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Chemical information

Composition
Formula: C4H9N / Number of atoms: 14 / Formula weight: 71.121 / Formal charge: 0
Others

7qa7

Type: non-polymer / PDB classification: HETAIN / Three letter code: 9L6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QA7
History
Create componentNov 19, 2021
Modify descriptorAug 22, 2022
Initial releaseNov 30, 2022
External linksUniChem / ChemSpider / BindingDB / Brenda / ChemicalBook / CompTox / 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

CACTVS 3.385NCC1CC1
OpenEye OEToolkits 2.0.7C1CC1CN

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SMILES CANONICAL

CACTVS 3.385NCC1CC1
OpenEye OEToolkits 2.0.7C1CC1CN

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InChI

InChI 1.06InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2

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InChIKey

InChI 1.06IGSKHXTUVXSOMB-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7qa7:
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Cyclopropanemethylamine

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