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- ChemComp-HSQ: 2-acetylamino-2-deoxy-alpha-L-idopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: HSQ
NameName: 2-acetylamino-2-deoxy-alpha-L-idopyranose
Synonyms: N-acetyl-alpha-L-idosamine; 2-acetylamino-2-deoxy-alpha-L-idose; 2-acetylamino-2-deoxy-L-idose;

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Chemical information

Composition
Formula: C8H15NO6 / Number of atoms: 30 / Formula weight: 221.208 / Formal charge: 0
Others

2f2l

Type: L-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: HSQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2F2L
History
Create componentJan 16, 2009
Modify leaving atom flagFeb 1, 2011
Modify descriptorJun 4, 2011
Other modificationMar 6, 2020
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / PubChem / SureChEMBL / ZINC / 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 12.01O=C(NC1C(O)C(O)C(OC1O)CO)C
CACTVS 3.370CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0CC(=O)NC1C(C(C(OC1O)CO)O)O

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SMILES CANONICAL

CACTVS 3.370CC(=O)N[C@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O

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InChI

InChI 1.03InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m0/s1

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InChIKey

InChI 1.03OVRNDRQMDRJTHS-SLBCVNJHSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(acetylamino)-2-deoxy-alpha-L-idopyranose
OpenEye OEToolkits 1.7.0N-[(2R,3R,4R,5S,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0LIdopNAca

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COMMON NAME

GMML 1.0N-acetyl-a-L-idopyranosamine

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-L-IdopNAc

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0IdoNAc

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PDB entries

Showing all 2 items

PDB-2f2l:
Crystal structure of tracheal cytotoxin (TCT) bound to the ectodomain complex of peptidoglycan recognition proteins LCa (PGRP-LCa) and LCx (PGRP-LCx)

PDB-3k1w:
New Classes of Potent and Bioavailable Human Renin Inhibitors

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