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- ChemComp-TAG: D-tagatose -

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Basic information

EntryDatabase: PDB chemical components / ID: TAG
NameName: D-tagatose

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Chemical information

Composition
Formula: C6H12O6 / Number of atoms: 24 / Formula weight: 180.156 / Formal charge: 0
OthersType: D-saccharide / PDB classification: ATOMS / Three letter code: TAG / Ideal coordinates details: Corina
History
Create componentAug 15, 2007
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / DrugBank / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / 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 10.04O=C(C(O)C(O)C(O)CO)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)C(=O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(=O)CO)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1

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InChIKey

InChI 1.03BJHIKXHVCXFQLS-PQLUHFTBSA-N

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SYSTEMATIC NAME

ACDLabs 10.04D-tagatose
OpenEye OEToolkits 1.5.0(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one

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PDB entries

Showing all 4 items

PDB-2qum:
Crystal structure of D-tagatose 3-epimerase from Pseudomonas cichorii with D-tagatose

PDB-3vnl:
Crystal structures of D-Psicose 3-epimerase with D-tagatose from Clostridium cellulolyticum H10

PDB-7dz4:
Crystal structures of D-allulose 3-epimerase with D-tagatose from Sinorhizobium fredii

PDB-8u01:
Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain Containing Protein from Phocaeicola plebeius

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