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- ChemComp-G4S: 4-O-sulfo-beta-D-galactopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: G4S
NameName: 4-O-sulfo-beta-D-galactopyranose
Synonyms: 4-O-sulfo-beta-D-galactose; 4-O-sulfo-D-galactose; 4-O-sulfo-galactose

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Chemical information

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

1car

GAL

GSA

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: G4S / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 / Model coordinates PDB-ID: 1CAR / Parent comp.: GAL / Replaces: GSA
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 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 10.04O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[S](O)(=O)=O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O

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InChI

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

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InChIKey

InChI 1.03LOTQRUGOUKUSEY-DGPNFKTASA-N

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SYSTEMATIC NAME

ACDLabs 10.044-O-sulfo-beta-D-galactopyranose
OpenEye OEToolkits 1.5.0[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DGalp[4S]b

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COMMON NAME

GMML 1.04-sulfo-b-D-galactopyranose

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-Galp4SO3

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PDB entries

Showing all 6 items

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Crystal structure of Ps i-CgsB in complex with k-i-k-neocarrahexaose

PDB-6b0k:
Crystal structure of Ps i-CgsB C78S in complex with k-carrapentaose

PDB-6psm:
Crystal structure of PsS1_19B C77S in complex with kappa-neocarrabiose

PDB-6pt9:
Crystal structure of PsS1_NC C84S in complex with k-neocarrabiose

PDB-6ptk:
Crystal structure of the sulfatase PsS1_NC C84A with bound sulfate ion

PDB-7oza:
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3796_S1_16)

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