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BioLiP

PDB CCD ID: CR6
Number of entries in BioLiP: 2
Chemical formula: C9 H16 N2 O7
InChI: InChI=1S/C9H16N2O7/c1-3(13)11-9(8(10)17)7(16)6(15)5(14)4(2-12)18-9/h4-7,12,14-16H,2H2,1H3,(H2,10,17)(H,11,13)/t4-,5-,6+,7-,9+/m1/s1
InChIKey: BUPVODXECQDZQR-YCOWOFQRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC1(C(C(C(C(O1)CO)O)O)O)C(=O)N
CACTVS 3.341CC(=O)N[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)C(N)=O
CACTVS 3.341CC(=O)N[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N
ACDLabs 10.04O=C(NC1(OC(CO)C(O)C(O)C1O)C(=O)N)C
Name:1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE
ChEMBL: CHEMBL592878
DrugBank: DB04544
ZINC: ZINC000005884195
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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