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- ChemComp-OXZ: TETRAHYDROOXAZINE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: OXZ
NameName: tetrahydrooxazine

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Chemical information

Composition
Formula: C5H11NO4 / Number of atoms: 21 / Formula weight: 149.145 / Formal charge: 0
Others

1w3j

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OXZ / Model coordinates PDB-ID: 1W3J
History
Create componentJul 16, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEMBL / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 10.04OC1C(ONCC1O)CO
CACTVS 3.341OC[CH]1ONC[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(C(C(ON1)CO)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H]1ONC[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H](ON1)CO)O)O

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InChI

InChI 1.03InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1

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InChIKey

InChI 1.03KHVCOYGKHDJPBZ-WDCZJNDASA-N

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SYSTEMATIC NAME

ACDLabs 10.04(4R,5S,6R)-6-(hydroxymethyl)-1,2-oxazinane-4,5-diol
OpenEye OEToolkits 1.5.0(4R,5S,6R)-6-(hydroxymethyl)-1,2-oxazinane-4,5-diol

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PDB entries

Showing all 4 items

PDB-1w3j:
Family 1 b-glucosidase from Thermotoga maritima in complex with tetrahydrooxazine

PDB-1w3k:
ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOBIO DERIVED-TETRAHYDROOXAZINE

PDB-1w3l:
ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOTRI DERIVED-TETRAHYDROOXAZINE

PDB-2yjq:
Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44

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