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- ChemComp-OGM: methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate -

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Basic information

EntryDatabase: PDB chemical components / ID: OGM
NameName: methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate

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Chemical information

Composition
Formula: C10H17N3O3 / Number of atoms: 33 / Formula weight: 227.26 / Formal charge: 0
Others

6pga

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OGM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6PGA
History
Create componentJun 24, 2019
Initial releaseDec 11, 2019
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 12.01COC(=O)NCCCCc1nc(CO)cn1
CACTVS 3.385COC(=O)NCCCCc1[nH]c(CO)cn1
OpenEye OEToolkits 2.0.7COC(=O)NCCCCc1[nH]c(cn1)CO

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SMILES CANONICAL

CACTVS 3.385COC(=O)NCCCCc1[nH]c(CO)cn1
OpenEye OEToolkits 2.0.7COC(=O)NCCCCc1[nH]c(cn1)CO

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InChI

InChI 1.03InChI=1S/C10H17N3O3/c1-16-10(15)11-5-3-2-4-9-12-6-8(7-14)13-9/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)

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InChIKey

InChI 1.03FLDJBEVUBLZUEF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
OpenEye OEToolkits 2.0.7methyl ~{N}-[4-[5-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]carbamate

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PDB entries

Showing all 1 items

PDB-6pga:
WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate

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