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- ChemComp-G1P: 1-O-phosphono-alpha-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: G1P
NameName: 1-O-phosphono-alpha-D-glucopyranose
Synonyms: ALPHA-D-GLUCOSE-1-PHOSPHATE; 1-O-phosphono-alpha-D-glucose; 1-O-phosphono-D-glucose; 1-O-phosphono-glucose

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Chemical information

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

3gpb

GLC

Type: D-saccharide / PDB classification: ATOMS / Three letter code: G1P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GPB / Parent comp.: GLC
History
Create componentJul 8, 1999
Modify leaving atom flagJan 19, 2011
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 / Brenda / ChEBI / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 12.01O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
CACTVS 3.370OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.370OC[C@H]1O[C@H](O[P](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)OP(=O)(O)O)O)O)O)O

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InChI

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

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InChIKey

InChI 1.03HXXFSFRBOHSIMQ-VFUOTHLCSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-O-phosphono-alpha-D-glucopyranose
OpenEye OEToolkits 1.7.0[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Glcp1PO3

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PDB entries

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