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- ChemComp-XXR: alpha-D-rhamnopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: XXR
NameName: alpha-D-rhamnopyranose
Synonyms: alpha-D-rhamnose; 6-deoxy-alpha-D-mannopyranose; D-rhamnose; rhamnose

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Chemical information

Composition
Formula: C6H12O5 / Number of atoms: 23 / Formula weight: 164.156 / Formal charge: 0
Others

4led

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: XXR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4LED
History
Create componentJul 18, 2013
Initial releaseFeb 19, 2014
Other modificationAug 12, 2019
Other modificationDec 19, 2019
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / KEGG_Ligand / Metabolights / NMRShiftDB / 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)C(OC(O)C1O)C
CACTVS 3.385C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m1/s1

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InChIKey

InChI 1.03SHZGCJCMOBCMKK-PQMKYFCFSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-deoxy-alpha-D-mannopyranose
OpenEye OEToolkits 1.7.6(2S,3S,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DRhapa

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COMMON NAME

GMML 1.0a-D-rhamnopyranose

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Rhap

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0Rha

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PDB entries

Showing all 1 items

PDB-4led:
The Crystal Structure of Pyocin L1 bound to D-rhamnose at 2.37 Angstroms

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