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BioLiP

PDB CCD ID: NDG
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N O6
InChI: InChI=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+/m1/s1
InChIKey: OVRNDRQMDRJTHS-PVFLNQBWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
CACTVS 3.341CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
ACDLabs 10.04O=C(NC1C(O)C(O)C(OC1O)CO)C
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1O)CO)O)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
Name:2-acetamido-2-deoxy-alpha-D-glucopyranose;
N-acetyl-alpha-D-glucosamine;
2-acetamido-2-deoxy-alpha-D-glucose;
2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose;
2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
ChEMBL: CHEMBL1234669
DrugBank: DB03740
ZINC: ZINC000003860151
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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