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- ChemComp-AH2: 1-deoxy-alpha-D-mannopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: AH2
NameName: 1-deoxy-alpha-D-mannopyranose
Synonyms: 1,5-Anhydromannitol; 1-deoxy-alpha-D-mannose; 1-deoxy-D-mannose; 1-deoxy-mannose

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Chemical information

Composition
Formula: C6H12O5 / Number of atoms: 23 / Formula weight: 164.156 / Formal charge: 0
Others

5muc

Type: D-saccharide / PDB classification: ATOMS / Three letter code: AH2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MUC
History
Create componentJan 13, 2017
Initial releaseFeb 14, 2018
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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

CACTVS 3.385OC[CH]1OC[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C1C(C(C(C(O1)CO)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

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InChI

InChI 1.03InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1

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InChIKey

InChI 1.03MPCAJMNYNOGXPB-KVTDHHQDSA-N

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PDB entries

Showing all 6 items

PDB-5muc:
Crystal structure of the FimH lectin domain in complex with 1,5-Anhydromannitol

PDB-6lkn:
Crystal structure of ATP11C-CDC50A in PtdSer-bound E2P state

PDB-7bsu:
Cryo-EM structure of a human ATP11C-CDC50A flippase in PtdSer-bound E2BeF state

PDB-8cyb:
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 1-8

PDB-8ojo:
Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol

PDB-9dxt:
Ligand-binding and transmembrane domains of kainate receptor GluK2 in complex with positive allosteric modulator BPAM-344 and channel blocker Kukoamine-A

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