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- ChemComp-KZB: (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R}... -

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Basic information

EntryDatabase: PDB chemical components / ID: KZB
NameName: (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5- ...Name: (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol

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Chemical information

Composition
Formula: C33H54O10 / Number of atoms: 97 / Formula weight: 610.776 / Formal charge: 0
Others

6s7o

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KZB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6S7O
History
Create componentJul 6, 2019
Initial releaseDec 18, 2019
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 3.385C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C
OpenEye OEToolkits 2.0.7CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)O)C)OC1

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SMILES CANONICAL

CACTVS 3.385C[C@H]1CC[C@]2(OC1)O[C@H]3[C@H](O)[C@@H]4[C@H]5CC[C@@H]6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)C[C@@]6(C)[C@@H]5CC[C@@]4(C)[C@@H]3[C@H]2C
OpenEye OEToolkits 2.0.7C[C@H]1CC[C@]2([C@@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)C)C)O)C)OC1

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InChI

InChI 1.03InChI=1S/C33H54O10/c1-15-7-10-33(40-14-15)16(2)23-29(43-33)26(37)24-18-6-5-17-11-21(41-30-28(39)27(38)25(36)22(13-34)42-30)20(35)12-32(17,4)19(18)8-9-31(23,24)3/h15-30,34-39H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31-,32+,33-/m0/s1

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InChIKey

InChI 1.03PDUIOILJOMOEIH-KWMFFDLQSA-N

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PDB entries

Showing all 4 items

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

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

PDB-8age:
Structure of yeast oligosaccharylransferase complex with acceptor peptide bound

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

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