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- ChemComp-BGP: 6-O-phosphono-beta-D-galactopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: BGP
NameName: 6-O-phosphono-beta-D-galactopyranose
Synonyms: BETA-GALACTOSE-6-PHOSPHATE; 6-O-phosphono-beta-D-galactose; 6-O-phosphono-D-galactose; 6-O-phosphono-galactose

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Chemical information

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

4pbg

GAL

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: BGP / Model coordinates PDB-ID: 4PBG / Parent comp.: GAL
History
Create componentJul 8, 1999
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 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=P(O)(O)OCC1OC(O)C(O)C(O)C1O
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1

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InChIKey

InChI 1.03NBSCHQHZLSJFNQ-FPRJBGLDSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-O-phosphono-beta-D-galactopyranose
OpenEye OEToolkits 1.5.0[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-Galp6PO3

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PDB entries

Showing all 6 items

PDB-4pbg:
6-PHOSPHO-BETA-GALACTOSIDASE FORM-CST

PDB-4zen:
Structure of Gan1D, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-beta-galactose

PDB-5okk:
Conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-beta-galactose

PDB-5okq:
Non-conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-beta-galactose

PDB-6lkj:
Two-component system protein mediate signal transduction

PDB-8b80:
The structure of Gan1D W433A in complex with galactose-6P

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