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- ChemComp-SR1: 5-S-methyl-5-thio-alpha-D-ribofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: SR1
NameName: 5-S-methyl-5-thio-alpha-D-ribofuranose
Synonyms: 5-S-methyl-5-thio-alpha-D-ribose; 5-S-methyl-5-thio-D-ribose; 5-S-methyl-5-thio-ribose

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Chemical information

Composition
Formula: C6H12O4S / Number of atoms: 23 / Formula weight: 180.222 / Formal charge: 0
Others

1z5n

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: SR1 / Model coordinates PDB-ID: 1Z5N
History
Create componentMar 31, 2005
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / ChEBI / PubChem / PubChem_TPharma / 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 10.04OC1C(OC(O)C1O)CSC
CACTVS 3.341CSC[CH]1O[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CSCC1C(C(C(O1)O)O)O

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SMILES CANONICAL

CACTVS 3.341CSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1

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InChIKey

InChI 1.03OLVVOVIFTBSBBH-KAZBKCHUSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-S-methyl-5-thio-alpha-D-ribofuranose
OpenEye OEToolkits 1.5.0(2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Ribf5SMe

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PDB entries

Showing all 4 items

PDB-1z5n:
Crystal structure of MTA/AdoHcy nucleosidase Glu12Gln mutant complexed with 5-methylthioribose and adenine

PDB-2pun:
Structures of 5-methylthioribose kinase reveal substrate specificity and unusual mode of nucleotide binding

PDB-2pyw:
Structure of A. thaliana 5-methylthioribose kinase in complex with ADP and MTR

PDB-4ry8:
Crystal structure of 5-methylthioribose transporter solute binding protein TLET_1677 from Thermotoga lettingae TMO TARGET EFI-511109 in complex with 5-methylthioribose

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