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- ChemComp-G6S: 6-O-sulfo-beta-D-galactopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: G6S
NameName: 6-O-sulfo-beta-D-galactopyranose
Synonyms: D-GALACTOSE-6-SULFATE; 6-O-sulfo-beta-D-galactose; 6-O-sulfo-D-galactose; 6-O-sulfo-galactose

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Chemical information

Composition
Formula: C6H12O9S / Number of atoms: 28 / Formula weight: 260.219 / Formal charge: 0
Others

1kes

GAL

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: G6S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1KES / Parent comp.: GAL
History
Create componentJan 25, 2001
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 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 / 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=S(=O)(O)OCC1OC(O)C(O)C(O)C1O
CACTVS 3.370O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)O)O)O)O)OS(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.370O[C@@H]1O[C@H](CO[S](O)(=O)=O)[C@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1

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InChIKey

InChI 1.03OKUVUONOJCDUJY-FPRJBGLDSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-O-sulfo-beta-D-galactopyranose
OpenEye OEToolkits 1.7.0[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfate

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DGalp[6S]b

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COMMON NAME

GMML 1.06-sulfo-b-D-galactopyranose

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-Galp6SO3

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PDB entries

Showing all 6 items

PDB-7ozc:
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3109_S1_15)

PDB-7oze:
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1624-S1_15)

PDB-9bas:
Structure of S1_15A, a lambda-carrageenan specific sulfatase, in complex with galactose-6-sulfate

PDB-9bau:
Structure of S1_15B, a lambda-carrageenan specific sulfatase, in complex with galactose-6-sulfate

PDB-9bav:
Structure of S1_15B, a lambda-carrageenan specific sulfatase, in complex with a carrageenoligosaccharide

PDB-9beh:
Structure of GH110A in complex with galactose-6-sulfate

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