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- ChemComp-PFX: 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: PFX
NameName: 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid

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Chemical information

Composition
Formula: C6H13NO4 / Number of atoms: 24 / Formula weight: 163.172 / Formal charge: 0
Others

2k9e

Type: peptide-like / PDB classification: HETAIN / Three letter code: PFX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2K9E
History
Create componentOct 17, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify descriptorApr 6, 2023
Modify formulaApr 6, 2023
Modify nameApr 6, 2023
Modify identifierApr 6, 2023
Modify processing siteApr 7, 2023
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / 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 3.385NCCOCCOCC(O)=O
OpenEye OEToolkits 2.0.7C(COCCOCC(=O)O)N

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SMILES CANONICAL

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

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InChI

InChI 1.06InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)

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InChIKey

InChI 1.06RUVRGYVESPRHSZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-9f1i:
Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen, target bound

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