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- ChemComp-RWB: dodecaethylene glycol monomethyl ether -

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Basic information

EntryDatabase: PDB chemical components / ID: RWB
NameName: dodecaethylene glycol monomethyl ether
Synonyms: PEG-MME fragment n=12;polyethylene glycol monomethyl ether fragment n=12;PEG 550 MME

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Chemical information

Composition
Formula: C25H52O13 / Number of atoms: 90 / Formula weight: 560.673 / Formal charge: 0
Others

7ap5

Type: non-polymer / PDB classification: HETAIN / Three letter code: RWB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AP5
History
Create componentOct 27, 2020
Initial releaseNov 17, 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 3.385COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 2.0.7COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

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SMILES CANONICAL

CACTVS 3.385COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 2.0.7COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

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InChI

InChI 1.03InChI=1S/C25H52O13/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-24-25-38-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-26/h26H,2-25H2,1H3

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InChIKey

InChI 1.03PLQZJIIDLZRWBG-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-7ap5:
Crystal structure of phycoerythrin from cyanobacterium Nostoc sp. WR13 contains multiple stacks of hexameric assemblies which resemble the rods of phycobilisome.

PDB-8fmf:
Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand (1 tetramer in the AU)

PDB-9eto:
PsiK from Psilocybe cubensis

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