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- ChemComp-OH0: N-heptanoyl-N-hydroxy-beta-alanine -

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Basic information

EntryDatabase: PDB chemical components / ID: OH0
NameName: N-heptanoyl-N-hydroxy-beta-alanine

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Chemical information

Composition
Formula: C10H19NO4 / Number of atoms: 34 / Formula weight: 217.262 / Formal charge: 0
Others

7uva

Type: non-polymer / PDB classification: ATOMP / Three letter code: OH0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7UVA
History
Create componentMay 2, 2022
Initial releaseFeb 22, 2023
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 12.01O=C(O)CCN(O)C(=O)CCCCCC
CACTVS 3.385CCCCCCC(=O)N(O)CCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCC(=O)N(CCC(=O)O)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCC(=O)N(O)CCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCC(=O)N(CCC(=O)O)O

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InChI

InChI 1.03InChI=1S/C10H19NO4/c1-2-3-4-5-6-9(12)11(15)8-7-10(13)14/h15H,2-8H2,1H3,(H,13,14)

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InChIKey

InChI 1.03DOYDHAWEPMQVFZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-heptanoyl-N-hydroxy-beta-alanine
OpenEye OEToolkits 2.0.73-[heptanoyl(oxidanyl)amino]propanoic acid

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PDB entries

Showing all 3 items

PDB-7uv9:
KDM2A-nucleosome structure stabilized by H3K36C-UNC8015 covalent conjugate

PDB-7uva:
Crystal structure of KDM2A histone demethylase catalytic domain in complex with an H3C36 peptide modified by UNC8015

PDB-9nqu:
KDM6B-nucleosome structure stabilized by H3K27C-UNC8015 covalent conjugate

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