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- ChemComp-RER: vancosamine -

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Basic information

EntryDatabase: PDB chemical components / ID: RER
NameName: vancosamine
Synonyms: (1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
Commentantibiotic*YM

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Chemical information

Composition
Formula: C7H15NO3 / Number of atoms: 26 / Formula weight: 161.199 / Formal charge: 0
Others

1c0q

Type: L-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: RER / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1C0Q
History
Create componentSep 6, 2010
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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 10.04OC1OC(C(O)C(N)(C)C1)C
CACTVS 3.352C[CH]1O[CH](O)C[C](C)(N)[CH]1O
OpenEye OEToolkits 1.6.1CC1C(C(CC(O1)O)(C)N)O

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SMILES CANONICAL

CACTVS 3.352C[C@@H]1O[C@@H](O)C[C@](C)(N)[C@@H]1O
OpenEye OEToolkits 1.6.1C[C@H]1[C@H]([C@@](C[C@@H](O1)O)(C)N)O

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InChI

InChI 1.03InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1

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InChIKey

InChI 1.03OIJZDPGKNVKVBL-WNJXEPBRSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranose
OpenEye OEToolkits 1.6.1(2R,4S,5S,6S)-4-amino-4,6-dimethyl-oxane-2,5-diol

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PDB entries

Showing all 2 items

PDB-1gac:
NMR structure of asymmetric homodimer of a82846b, a glycopeptide antibiotic, complexed with its cell wall pentapeptide fragment

PDB-8g82:
Vancomycin bound to D-Ala-D-Ser

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