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- ChemComp-TLW: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-... -

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Basic information

EntryDatabase: PDB chemical components / ID: TLW
NameName: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid

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Chemical information

Composition
Formula: C8H14O7 / Number of atoms: 29 / Formula weight: 222.193 / Formal charge: 0
Others

7bgl

Type: non-polymer / PDB classification: HETAIN / Three letter code: TLW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BGL
History
Create componentJan 11, 2021
Initial releaseMay 5, 2021
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

CACTVS 3.385OC[CH](O)[CH]1O[CH](C[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.7C1C(C(C(OC1C(=O)O)C(CO)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@@H](O)[C@H]1O[C@H](C[C@@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7C1[C@H]([C@H]([C@H](O[C@H]1C(=O)O)[C@@H](CO)O)O)O

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InChI

InChI 1.03InChI=1S/C8H14O7/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14/h3-7,9-12H,1-2H2,(H,13,14)/t3-,4-,5-,6-,7-/m1/s1

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InChIKey

InChI 1.03ANWKOKWAJKGXFO-NYMZXIIRSA-N

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PDB entries

Showing all 1 items

PDB-7bgl:
Salmonella LP ring 26 mer refined in C26 map

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