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- ChemComp-TA6: 6-O-phosphono-beta-D-tagatofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: TA6
NameName: 6-O-phosphono-beta-D-tagatofuranose
Synonyms: 6-O-phosphono-beta-D-tagatose; 6-O-phosphono-D-tagatose; 6-O-phosphono-tagatose

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Chemical information

Composition
Formula: C6H13O9P / Number of atoms: 29 / Formula weight: 260.136 / Formal charge: 0
Others

2cis

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: TA6 / Model coordinates PDB-ID: 2CIS
History
Create componentMar 24, 2006
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 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 / ChEBI / Metabolights / PubChem / 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=P(O)(O)OCC1OC(O)(CO)C(O)C1O
CACTVS 3.341OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6-/m1/s1

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InChIKey

InChI 1.03BGWGXPAPYGQALX-DPYQTVNSSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-O-phosphono-beta-D-tagatofuranose
OpenEye OEToolkits 1.5.0[(2R,3R,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 3 items

PDB-2cis:
Structure-based functional annotation: Yeast ymr099c codes for a D- hexose-6-phosphate mutarotase. Complex with tagatose-6-phosphate

PDB-2jg1:
STRUCTURE OF Staphylococcus aureus D-TAGATOSE-6-PHOSPHATE KINASE with cofactor and substrate

PDB-3jul:
Crystal structure of Listeria innocua D-Tagatose-6-Phosphate Kinase bound with substrate

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