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- ChemComp-EMR: N-AMINOETHYLMORPHOLINE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: EMR
NameName: N-aminoethylmorpholine

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Chemical information

Composition
Formula: C6H14N2O / Number of atoms: 23 / Formula weight: 130.188 / Formal charge: 0
Others

1epr

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EMR / Model coordinates PDB-ID: 1EPR
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / 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 10.04O1CCN(CCN)CC1
CACTVS 3.341NCCN1CCOCC1
OpenEye OEToolkits 1.5.0C1COCCN1CCN

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SMILES CANONICAL

CACTVS 3.341NCCN1CCOCC1
OpenEye OEToolkits 1.5.0C1COCCN1CCN

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InChI

InChI 1.03InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2

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InChIKey

InChI 1.03RWIVICVCHVMHMU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-morpholin-4-ylethanamine
OpenEye OEToolkits 1.5.02-morpholin-4-ylethanamine

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PDB entries

Showing all 6 items

PDB-7h5c:
Crystal structure of endothiapepsin PN_cryo3 in complex with AC40075 at 100 K

PDB-7h5d:
Crystal structure of endothiapepsin PN_cryo1 in complex with AC40075 at 100 K

PDB-7h5g:
Crystal structure of endothiapepsin PF_cryo1 in complex with AC40075 at 100 K

PDB-7h5i:
Crystal structure of endothiapepsin IS_cryo3 in complex with AC40075 at 100 K

PDB-7h5j:
Crystal structure of endothiapepsin IS_cryo1 in complex with AC40075 at 100 K

PDB-7h5k:
Crystal structure of endothiapepsin IS_RT2 in complex with AC40075 at 296 K

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