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- ChemComp-RZV: (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl... -

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Basic information

EntryDatabase: PDB chemical components / ID: RZV
NameName: (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid

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Chemical information

Composition
Formula: C12H20NO9P / Number of atoms: 43 / Formula weight: 353.262 / Formal charge: 0
Others

6vzu

Type: non-polymer / PDB classification: HETAIN / Three letter code: RZV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6VZU
History
Create componentMar 3, 2020
Initial releaseAug 12, 2020
External linksUniChem / ChemSpider / PubChem / 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

CACTVS 3.385CC(=O)N[CH](CCC(O)=O)[P](O)(=O)C[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)NC(CCC(=O)O)P(=O)(CC(CCC(=O)O)C(=O)O)O

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SMILES CANONICAL

CACTVS 3.385CC(=O)N[C@@H](CCC(O)=O)[P](O)(=O)C[C@@H](CCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC(=O)O)C(=O)O)O

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InChI

InChI 1.03InChI=1S/C12H20NO9P/c1-7(14)13-9(3-5-11(17)18)23(21,22)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t8-,9-/m1/s1

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InChIKey

InChI 1.03ZYUHYZCJHIQCIO-RKDXNWHRSA-N

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PDB entries

Showing all 1 items

PDB-6vzu:
TTLL6 bound to alpha-elongation analog

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