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BioLiP

PDB CCD ID: 9GP
Number of entries in BioLiP: 1
Chemical formula: C8 H15 N O7
InChI: InChI=1S/C8H15NO7/c10-1-3-5(13)6(14)7(15)8(16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5-,6+,7-,8-/m1/s1
InChIKey: DIGPTJYOVRRBRM-RHROMQPHSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NC1OC(C(O)C(O)C1O)CO)CO
CACTVS 3.341OC[CH]1O[CH](NC(=O)CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@@H](NC(=O)CO)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)NC(=O)CO)O)O)O)O
Name:N-(hydroxyacetyl)-beta-D-glucopyranosylamine;
N-(hydroxyacetyl)-beta-D-glucosylamine;
N-(hydroxyacetyl)-D-glucosylamine;
N-(hydroxyacetyl)-glucosylamine
ChEMBL: CHEMBL602684
ZINC: ZINC000045371349
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)(download the PDF file).
  • 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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