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- ChemComp-VW0: (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(ox... -

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Basic information

EntryDatabase: PDB chemical components / ID: VW0
NameName: (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid

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Chemical information

Composition
Formula: C11H20NO11P / Number of atoms: 44 / Formula weight: 373.25 / Formal charge: 0
Others

8c0u

Type: non-polymer / PDB classification: HETAIN / Three letter code: VW0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8C0U
History
Create componentApr 12, 2023
Initial releaseSep 20, 2023
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 3.385C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(C(=O)O)OC1C(C(OC(C1O)COP(=O)(O)O)O)NC(=O)C

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SMILES CANONICAL

CACTVS 3.385C[C@@H](O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O)[C@@H]1NC(C)=O)C(O)=O
OpenEye OEToolkits 2.0.7C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C

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InChI

InChI 1.06InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11+/m1/s1

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InChIKey

InChI 1.06NMEMTQKUEVNSPV-MDMHTWEWSA-N

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PDB entries

Showing all 1 items

PDB-8c0u:
1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with their natural substrates and products

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