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- ChemComp-K6G: [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethox... -

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Basic information

EntryDatabase: PDB chemical components / ID: K6G
NameName: [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate

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Chemical information

Composition
Formula: C24H51NO7P / Number of atoms: 84 / Formula weight: 496.638 / Formal charge: 0
Others

6mxn
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K6G / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6MXN
History
Create componentNov 1, 2018
Initial releaseSep 2, 2020
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 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N](C)(C)C
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N](C)(C)C)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P](O)(=O)OCC[N](C)(C)C
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O

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InChI

InChI 1.03InChI=1S/C24H51NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3,(H,28,29)

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InChIKey

InChI 1.03SCBAYHQXYOJTRE-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-6uxr:
Crystal structure of BAK core domain BH3-groove-dimer in complex with LysoPC

PDB-7wu3:
Cryo-EM structure of the adhesion GPCR ADGRF1 in complex with miniGs

PDB-7wu4:
Cryo-EM structure of the adhesion GPCR ADGRF1 in complex with miniGi

PDB-7wu5:
Cryo-EM structure of the adhesion GPCR ADGRF1(H565A/T567A) in complex with miniGi

PDB-8srx:
Crystal structure of BAK-BAX heterodimer with lysoPC

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