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- ChemComp-9UB: [(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,... -

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Basic information

EntryDatabase: PDB chemical components / ID: 9UB
NameName: [(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid

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Chemical information

Composition
Formula: C29H51NO11P2 / Number of atoms: 94 / Formula weight: 651.663 / Formal charge: 0
Others

5ogl

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9UB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5OGL
History
Create componentJul 13, 2017
Initial releaseOct 25, 2017
External linksUniChem / ChemSpider / PubChem / 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(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
OpenEye OEToolkits 2.0.6CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(CC1C(C(C(C(O1)CO)O)O)NC(=O)C)O)C)C)C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)=CCCC(\C)=C/CCC(\C)=C/CC\C(C)=C/CO[P](O)(=O)O[P](O)(=O)C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
OpenEye OEToolkits 2.0.6CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)/C)/C)/C)C

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InChI

InChI 1.03InChI=1S/C29H51NO11P2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-39-43(37,38)41-42(35,36)19-26-27(30-24(6)32)29(34)28(33)25(18-31)40-26/h10,12,14,16,25-29,31,33-34H,7-9,11,13,15,17-19H2,1-6H3,(H,30,32)(H,35,36)(H,37,38)/b21-12-,22-14-,23-16-/t25-,26-,27+,28-,29-/m1/s1

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InChIKey

InChI 1.03ZBWKCDFMHFZRQG-MJTKDKBSSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid

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PDB entries

Showing all 4 items

PDB-5ogl:
Structure of bacterial oligosaccharyltransferase PglB in complex with an acceptor peptide and an lipid-linked oligosaccharide analog

PDB-6ftg:
Subtomogram average of OST-containing ribosome-translocon complexes from canine rough microsomal membranes

PDB-6fti:
Cryo-EM Structure of the Mammalian Oligosaccharyltransferase Bound to Sec61 and the Programmed 80S Ribosome

PDB-6ftj:
Cryo-EM Structure of the Mammalian Oligosaccharyltransferase Bound to Sec61 and the Non-programmed 80S Ribosome

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