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- ChemComp-SOE: alpha-L-sorbopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: SOE
NameName: alpha-L-sorbopyranose
Synonyms: alpha-L-sorbose; L-sorbose; sorbose; L-sorbose in pyranose form

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Chemical information

Composition
Formula: C6H12O6 / Number of atoms: 24 / Formula weight: 180.156 / Formal charge: 0
Others

3ai3

Type: L-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: SOE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3AI3
History
Create componentMay 14, 2010
Modify descriptorJun 4, 2011
Other modificationAug 12, 2019
Other modificationDec 19, 2019
Other modificationJul 3, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / CompTox / HMDB / KEGG_Ligand / Metabolights / 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 12.01OC1C(O)(OCC(O)C1O)CO
CACTVS 3.370OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C1C(C(C(C(O1)(CO)O)O)O)O

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SMILES CANONICAL

CACTVS 3.370OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1

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InChIKey

InChI 1.03LKDRXBCSQODPBY-BGPJRJDNSA-N

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SYSTEMATIC NAME

ACDLabs 12.01alpha-L-sorbopyranose
OpenEye OEToolkits 1.7.0(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0LSorpa

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COMMON NAME

GMML 1.0a-L-sorbopyranose

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-L-Sorp

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0Sor

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PDB entries

Showing all 4 items

PDB-3ai3:
The crystal structure of L-Sorbose reductase from Gluconobacter frateurii complexed with NADPH and L-sorbose

PDB-4pgl:
Crystal structure of engineered D-tagatose 3-epimerase PcDTE-ILS6

PDB-6a3j:
Levoglucosan dehydrogenase, complex with NADH and L-sorbose

PDB-8vv3:
Structure of the insect gustatory receptor Gr9 from Bombyx mori in complex with L-sorbose

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