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BioLiP

PDB CCD ID: LOG
Number of entries in BioLiP: 10
Chemical formula: C8 H14 N2 O6
InChI: InChI=1S/C8H14N2O6/c1-3(12)9-5-7(14)6(13)4(2-11)16-8(5)10-15/h4-7,11,13-15H,2H2,1H3,(H,9,12)/b10-8-/t4-,5-,6-,7-/m1/s1
InChIKey: NJBKCLCEXIDHDR-OANDGCGGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NO
ACDLabs 10.04O=C(NC1C(=N\O)\OC(CO)C(O)C1O)C
OpenEye OEToolkits 1.6.1CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)O)O
CACTVS 3.352CC(=O)N[C@@H]\1[C@@H](O)[C@H](O)[C@@H](CO)OC\1=N\O
OpenEye OEToolkits 1.6.1CC(=O)NC1C(C(C(OC1=NO)CO)O)O
Name:N-acetylglucosaminono-1,5-lactone (Z)-oxime;
LOGNAC
ChEMBL: CHEMBL402605
ZINC: ZINC000005167376
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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