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- ChemComp-80Y: 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-... -

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Basic information

EntryDatabase: PDB chemical components / ID: 80Y
NameName: 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate

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Chemical information

Composition
Formula: C8H18NO9P / Number of atoms: 37 / Formula weight: 303.204 / Formal charge: 0
Others

8imy

Type: non-polymer / PDB classification: HETAIN / Three letter code: 80Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8IMY
History
Create componentMar 15, 2023
Initial releaseAug 16, 2023
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 3.385NCCO[P](O)(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(COP(=O)(O)OCC1C(C(C(C(O1)O)O)O)O)N

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SMILES CANONICAL

CACTVS 3.385NCCO[P](O)(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7C(COP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)N

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InChI

InChI 1.06InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)17-3-4-5(10)6(11)7(12)8(13)18-4/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1

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InChIKey

InChI 1.06MMKGFVVPDOLYRA-HEIBUPTGSA-N

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PDB entries

Showing all 4 items

PDB-8imx:
Cryo-EM structure of GPI-T with a chimeric GPI-anchored protein

PDB-8imy:
Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate

PDB-8k9r:
Cryo EM structure of the products-bound PGAP1(Bst1)-H443N from Chaetomium thermophilum

PDB-8k9t:
Cryo-EM structure of the products-bound PGAP1(Bst1)-S327A from Chaetonium thermophilum

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