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- ChemComp-EGY: (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)met... -

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Basic information

EntryDatabase: PDB chemical components / ID: EGY
NameName: (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium
Commentphospholipid*YM

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Chemical information

Composition
Formula: C33H67NO8P / Number of atoms: 110 / Formula weight: 636.861 / Formal charge: 1
Others

6c26

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EGY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6C26
History
Create componentJan 10, 2018
Initial releaseJan 31, 2018
External linksUniChem / PubChem / 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 12.01OP(=O)(OCC[N+](C)(C)C)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

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InChI

InChI 1.03InChI=1S/C33H66NO8P/c1-6-8-10-12-14-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34(3,4)5)29-39-32(35)25-23-21-19-15-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1

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InChIKey

InChI 1.03GGHWXDCJHDYMKO-WJOKGBTCSA-O

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SYSTEMATIC NAME

ACDLabs 12.01(4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium
OpenEye OEToolkits 2.0.6trimethyl-[2-[oxidanyl-[(2~{R})-2-tetradecanoyloxy-3-undecanoyloxy-propoxy]phosphoryl]oxyethyl]azanium

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PDB entries

Showing all 4 items

PDB-6c26:
The Cryo-EM structure of a eukaryotic oligosaccharyl transferase complex

PDB-6s7o:
Cryo-EM structure of human oligosaccharyltransferase complex OST-A

PDB-6s7t:
Cryo-EM structure of human oligosaccharyltransferase complex OST-B

PDB-8pn9:
Structure of human oligosaccharyltransferase OST-A complex bound to NGI-1

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