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- ChemComp-AAL: 3,6-anhydro-alpha-L-galactopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: AAL
NameName: 3,6-anhydro-alpha-L-galactopyranose
Synonyms: 3,6-ANHYDRO-L-GALACTOSE; 3,6-anhydro-alpha-L-galactose; 3,6-anhydro-galactose

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Chemical information

Composition
Formula: C6H10O5 / Number of atoms: 21 / Formula weight: 162.141 / Formal charge: 0
Others

1urx

Type: L-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: AAL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1URX
History
Create componentJan 23, 2001
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / Metabolights / NMRShiftDB / Nikkaji / PubChem / Rhea / 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 11.02OC2OC1C(O)C(OC1)C2O
CACTVS 3.352O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
OpenEye OEToolkits 1.7.0C1C2C(C(O1)C(C(O2)O)O)O

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SMILES CANONICAL

CACTVS 3.352O[C@@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O
OpenEye OEToolkits 1.7.0C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O

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InChI

InChI 1.03InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1

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InChIKey

InChI 1.03DCQFFOLNJVGHLW-DSOBHZJASA-N

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SYSTEMATIC NAME

ACDLabs 11.023,6-anhydro-alpha-L-galactopyranose
OpenEye OEToolkits 1.6.1(1R,2S,3R,5S,8R)-4,7-dioxabicyclo[3.2.1]octane-2,3,8-triol

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PDB entries

Showing all 2 items

PDB-4bq5:
Structural analysis of an exo-beta-agarase

PDB-5ta9:
Crystal structure of BuGH117Bwt in complex with neoagarobiose

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