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- ChemComp-WF1: 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: WF1
NameName: 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid

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Chemical information

Composition
Formula: C12H24N2O7 / Number of atoms: 45 / Formula weight: 308.328 / Formal charge: 0
Others

7ki0

Type: non-polymer / PDB classification: HETAIN / Three letter code: WF1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7KI0
History
Create componentOct 23, 2020
Initial releaseAug 4, 2021
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 12.01C(OCCOCC(O)=O)CNC(COCCOCCN)=O
CACTVS 3.385NCCOCCOCC(=O)NCCOCCOCC(O)=O
OpenEye OEToolkits 2.0.7C(COCCOCC(=O)NCCOCCOCC(=O)O)N

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SMILES CANONICAL

CACTVS 3.385NCCOCCOCC(=O)NCCOCCOCC(O)=O
OpenEye OEToolkits 2.0.7C(COCCOCC(=O)NCCOCCOCC(=O)O)N

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InChI

InChI 1.03InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

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InChIKey

InChI 1.03YQZVQKYXWPIKIX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.0117-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid
OpenEye OEToolkits 2.0.72-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethanoylamino]ethoxy]ethoxy]ethanoic acid

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PDB entries

Showing all 1 items

PDB-7ki0:
Semaglutide-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in Complex with Gs protein

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