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- ChemComp-NTZ: NOJIRIMYCINE TETRAZOLE -

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Basic information

EntryDatabase: PDB chemical components / ID: NTZ
NameName: nojirimycine tetrazole

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Chemical information

Composition
Formula: C6H10N4O4 / Number of atoms: 24 / Formula weight: 202.168 / Formal charge: 0
Others

1noj

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NTZ / Model coordinates PDB-ID: 1NOJ
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / DrugBank / Nikkaji / PubChem / PubChem_TPharma / ZINC / 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 10.04n1nnn2c1C(O)C(O)C(O)C2CO
CACTVS 3.341OC[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12
OpenEye OEToolkits 1.5.0C(C1C(C(C(c2n1nnn2)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn12
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3-,4+,5-/m1/s1

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InChIKey

InChI 1.03UCJXQRFJERKPOZ-SQOUGZDYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(5R,6R,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-6,7,8-triol
OpenEye OEToolkits 1.5.0(5R,6R,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,3,4]tetrazolo[5,1-f]pyridine-6,7,8-triol

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PDB entries

Showing all 6 items

PDB-1e6q:
MYROSINASE FROM SINAPIS ALBA with the bound transition state analogue gluco-tetrazole

PDB-1noi:
COMPLEX OF GLYCOGEN PHOSPHORYLASE WITH A TRANSITION STATE ANALOGUE NOJIRIMYCIN TETRAZOLE AND PHOSPHATE IN THE T AND R STATES

PDB-1noj:
COMPLEX OF GLYCOGEN PHOSPHORYLASE WITH A TRANSITION STATE ANALOGUE NOJIRIMYCIN TETRAZOLE AND PHOSPHATE IN THE T STATE

PDB-1nok:
COMPLEX OF GLYCOGEN PHOSPHORYLASE WITH A TRANSITION STATE ANALOGUE NOJIRIMYCIN TETRAZOLE AND PHOSPHATE IN THE T STATE

PDB-1v08:
Crystal structure of the Zea maze beta-glucosidase-1 in complex with gluco-tetrazole

PDB-2j7b:
Beta-glucosidase from Thermotoga maritima in complex with gluco- tetrazole

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