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- ChemComp-S9L: 2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: S9L
NameName: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate

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Chemical information

Composition
Formula: C6H15O7P / Number of atoms: 29 / Formula weight: 230.153 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: ATOMN / Three letter code: S9L
History
Create componentNov 16, 2006
Modify descriptorJun 4, 2011
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 10.04O=P(OCCOCCOCCO)(O)O
CACTVS 3.341OCCOCCOCCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(COCCOCCOP(=O)(O)O)O

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SMILES CANONICAL

CACTVS 3.341OCCOCCOCCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(COCCOCCOP(=O)(O)O)O

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InChI

InChI 1.03InChI=1S/C6H15O7P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h7H,1-6H2,(H2,8,9,10)

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InChIKey

InChI 1.03CJHGCXGTUHBMMH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate
OpenEye OEToolkits 1.5.02-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate

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PDB entries

Showing all 4 items

PDB-2npy:
Crystal Structure of a junctioned hairpin ribozyme incorporating 9atom linker and 2'-deoxy 2'-amino U at A-1

PDB-3gs1:
An all-RNA Hairpin Ribozyme with mutation A38N1dA

PDB-3gs5:
An all-RNA hairpin ribozyme A38N1dA variant with a product mimic substrate strand

PDB-3gs8:
An all-RNA hairpin ribozyme A38N1dA38 variant with a transition-state mimic substrate strand

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