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- ChemComp-6LR: morpholine -

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Basic information

EntryDatabase: PDB chemical components / ID: 6LR
NameName: morpholine

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Chemical information

Composition
Formula: C4H9NO / Number of atoms: 15 / Formula weight: 87.12 / Formal charge: 0
Others

5jo0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6LR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5JO0
History
Create componentMay 3, 2016
Initial releaseAug 23, 2016
External linksUniChem / ChemSpider / 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 12.01N1CCOCC1
CACTVS 3.385C1COCCN1
OpenEye OEToolkits 2.0.4C1COCCN1

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SMILES CANONICAL

CACTVS 3.385C1COCCN1
OpenEye OEToolkits 2.0.4C1COCCN1

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InChI

InChI 1.03InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2

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InChIKey

InChI 1.03YNAVUWVOSKDBBP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01morpholine
OpenEye OEToolkits 2.0.4morpholine

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PDB entries

Showing all 3 items

PDB-5jo0:
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC56 and manganese

PDB-6yx4:
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant with morpholine

PDB-7qd3:
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with morpholine

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