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- ChemComp-RZM: (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alp... -

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Basic information

EntryDatabase: PDB chemical components / ID: RZM
NameName: (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside
Synonyms: (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucoside;

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Chemical information

Composition
Formula: C12H23NO9 / Number of atoms: 45 / Formula weight: 325.312 / Formal charge: 0
Others

4u2y

GLC

Type: D-saccharide / PDB classification: ATOMS / Three letter code: RZM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4U2Y / Parent comp.: GLC
History
Create componentJul 24, 2014
Other modificationAug 5, 2014
Modify descriptorSep 5, 2014
Initial releaseAug 12, 2015
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / 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

ACDLabs 12.01O(C1C(O)C(NC1CO)CO)C2OC(C(O)C(O)C2O)CO
CACTVS 3.385OC[CH]1N[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1O
OpenEye OEToolkits 1.9.2C(C1C(C(C(N1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1N[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C12H23NO9/c14-1-4-7(17)11(5(2-15)13-4)22-12-10(20)9(19)8(18)6(3-16)21-12/h4-20H,1-3H2/t4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1

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InChIKey

InChI 1.03AZDBETUGBOOBRU-BBFNFCGLSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside
OpenEye OEToolkits 1.9.2(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-4-oxidanyl-pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-tr

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PDB entries

Showing all 1 items

PDB-4u2y:
Sco GlgEI-V279S in Complex with Reaction Intermediate Azasugar

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