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- ChemComp-64K: alpha-D-arabinopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: 64K
NameName: alpha-D-arabinopyranose / Synonyms: alpha-D-arabinose; D-arabinose; arabinose

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Chemical information

Composition
Formula: C5H10O5 / Number of atoms: 20 / Formula weight: 150.13 / Formal charge: 0
Others

5hqj

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: 64K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HQJ
History
Create componentJan 25, 2016
Initial releaseMar 2, 2016
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 / ChEMBL / 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(OCC(C1O)O)O
CACTVS 3.385O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.4C1C(C(C(C(O1)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.4C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O

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InChI

InChI 1.03InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m1/s1

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InChIKey

InChI 1.03SRBFZHDQGSBBOR-MBMOQRBOSA-N

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SYSTEMATIC NAME

ACDLabs 12.01alpha-D-arabinopyranose
OpenEye OEToolkits 2.0.4(2~{S},3~{S},4~{R},5~{R})-oxane-2,3,4,5-tetrol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DArapa

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COMMON NAME

GMML 1.0a-D-arabinopyranose

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Arap

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0Ara

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PDB entries

Showing all 3 items

PDB-5hqj:
Crystal structure of ABC transporter Solute Binding Protein B1G1H7 from Burkholderia graminis C4D1M, target EFI-511179, in complex with D-arabinose

PDB-6l6c:
X-ray structure of human galectin-10 in complex with D-arabinose

PDB-7c3d:
Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-arabinose

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