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- ChemComp-AOS: D-ALLOSE -

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Basic information

EntryDatabase: PDB chemical components / ID: AOS
NameName: D-allose

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Chemical information

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

2i57

Type: D-SACCHARIDE / PDB classification: ATOMS / Three letter code: AOS / Model coordinates PDB-ID: 2I57
History
Create componentAug 25, 2006
Modify descriptorJun 4, 2011
Modify leaving atom flagJun 24, 2020
External linksUniChem / ChemSpider / ChEBI / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 10.04O=CC(O)C(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C=O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1

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InChIKey

InChI 1.03GZCGUPFRVQAUEE-BGPJRJDNSA-N

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SYSTEMATIC NAME

ACDLabs 10.04D-allose
OpenEye OEToolkits 1.5.0(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

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PDB entries

Showing all 4 items

PDB-2i57:
Crystal Structure of L-Rhamnose Isomerase from Pseudomonas stutzeri in Complex with D-Allose

PDB-3m0m:
Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant S329F in complex with D-allose

PDB-3ph4:
Clostridium thermocellum Ribose-5-Phosphate Isomerase B with d-allose

PDB-4gjj:
Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant H101N in complex with D-allopyranose

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