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- ChemComp-T6T: alpha-D-tagatopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: T6T
NameName: alpha-D-tagatopyranose / Synonyms: alpha-D-tagatose; D-tagatose; tagatose

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Chemical information

Composition
Formula: C6H12O6 / Number of atoms: 24 / Formula weight: 180.156 / Formal charge: 0
Others

5ci5

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: T6T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5CI5
History
Create componentJul 13, 2015
Initial releaseJul 22, 2015
Modify atom idNov 7, 2017
Other modificationAug 12, 2019
Other modificationDec 19, 2019
Other modificationJul 3, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
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 12.01OC1C(OCC(C1O)O)(CO)O
CACTVS 3.385OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C1C(C(C(C(O1)(CO)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1

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InChIKey

InChI 1.03LKDRXBCSQODPBY-VANKVMQKSA-N

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SYSTEMATIC NAME

ACDLabs 12.01alpha-D-tagatopyranose
OpenEye OEToolkits 2.0.6(2~{S},3~{S},4~{S},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DTagpa

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COMMON NAME

GMML 1.0a-D-tagatopyranose

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Tagp

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0Tag

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PDB entries

Showing all 2 items

PDB-5ci5:
Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose

PDB-5dkv:
Crystal Structure of an ABC transporter Solute Binding Protein from Agrobacterium vitis(Avis_5339, TARGET EFI-511225) bound with alpha-D-Tagatopyranose

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