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- ChemComp-PAV: (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: PAV
NameName: (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran

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Chemical information

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

1tjy

Type: L-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: PAV / Model coordinates PDB-ID: 1TJY
History
Create componentJun 16, 2004
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 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 / 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 10.04OC1(O)C(O)(OCC1O)C
CACTVS 3.341C[C]1(O)OC[CH](O)C1(O)O
OpenEye OEToolkits 1.5.0CC1(C(C(CO1)O)(O)O)O

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SMILES CANONICAL

CACTVS 3.341C[C@@]1(O)OC[C@H](O)C1(O)O
OpenEye OEToolkits 1.5.0C[C@@]1(C([C@H](CO1)O)(O)O)O

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InChI

InChI 1.03InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1

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InChIKey

InChI 1.03BVIYGXUQVXBHQS-IUYQGCFVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrol (non-preferred name)
OpenEye OEToolkits 1.5.0(2R,4S)-2-methyloxolane-2,3,3,4-tetrol

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PDB entries

Showing all 7 items

1tjy

3ejw

3t95

4pz0

5e68

5gta

6dsp

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