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- ChemComp-MGC: methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside -

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Basic information

EntryDatabase: PDB chemical components / ID: MGC
NameName: methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
Synonyms: ALPHA-METHYL-N-ACETYL-D-GALACTOSAMINE; methyl 2-acetamido-2-deoxy-alpha-D-galactoside; methyl

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Chemical information

Composition
Formula: C9H17NO6 / Number of atoms: 33 / Formula weight: 235.234 / Formal charge: 0
Others

1ugx

A2G

Type: D-saccharide / PDB classification: ATOMS / Three letter code: MGC / Model coordinates PDB-ID: 1UGX / Parent comp.: A2G
History
Create componentJul 2, 2003
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / Nikkaji / 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 10.04O=C(NC1C(O)C(O)C(OC1OC)CO)C
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1OC)CO)O)O

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SMILES CANONICAL

CACTVS 3.341CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O

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InChI

InChI 1.03InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9+/m1/s1

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InChIKey

InChI 1.03ZEVOCXOZYFLVKN-ZEBDFXRSSA-N

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SYSTEMATIC NAME

ACDLabs 10.04methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranoside
OpenEye OEToolkits 1.5.0N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DGalpNAc[1Me]a

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COMMON NAME

GMML 1.01-methyl-N-acetyl-a-D-galactopyranose

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-methyl-N-acetyl-D-galactosamine

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PDB entries

Showing all 3 items

PDB-1uh0:
Crystal structure of jacalin- Me-alpha-GalNAc complex

PDB-1uh1:
Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex

PDB-2du1:
Crystal Structure of basic winged bean lectin in complex with Methyl-alpha-N-acetyl-D galactosamine

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