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- ChemComp-G8Z: prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside -

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Basic information

EntryDatabase: PDB chemical components / ID: G8Z
NameName: prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
Synonyms: Allyl-Alpha-4-Methyl-Mannoside; prop-2-en-1-yl 4-O-methyl-alpha-D-mannoside; prop-2-en-1-yl 4-O-methyl-D-mannoside;

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Chemical information

Composition
Formula: C10H18O6 / Number of atoms: 34 / Formula weight: 234.246 / Formal charge: 0
Others

5fsc

MAN

Type: D-saccharide / PDB classification: ATOMS / Three letter code: G8Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FSC / Parent comp.: MAN
History
Create componentJan 4, 2016
Modify atom idFeb 22, 2016
Other modificationMar 3, 2016
Initial releaseMar 29, 2017
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 17, 2020
Modify synonymsJul 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 / ChEMBL / PubChem / 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 3.385CO[CH]1[CH](O)[CH](O)[CH](OCC=C)O[CH]1CO
OpenEye OEToolkits 1.7.6COC1C(OC(C(C1O)O)OCC=C)CO

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SMILES CANONICAL

CACTVS 3.385CO[C@H]1[C@H](O)[C@H](O)[C@@H](OCC=C)O[C@@H]1CO
OpenEye OEToolkits 1.7.6CO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OCC=C)CO

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InChI

InChI 1.03InChI=1S/C10H18O6/c1-3-4-15-10-8(13)7(12)9(14-2)6(5-11)16-10/h3,6-13H,1,4-5H2,2H3/t6-,7-,8+,9-,10+/m1/s1

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InChIKey

InChI 1.03VOIKDSWIMJSKCR-SPFKKGSWSA-N

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PDB entries

Showing all 1 items

PDB-5fsc:
Structure of tectonin 2 from Laccaria bicolor in complex with allyl- alpha_4-methyl-mannoside

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