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BioLiP

PDB CCD ID: GI1
Number of entries in BioLiP: 2
Chemical formula: C10 H17 N2 O6
InChI: InChI=1S/C10H16N2O6/c1-18-10(17)4-2-12-5(3-13)6(14)7(15)8(16)9(12)11-4/h2,5-8,10,13-17H,3H2,1H3/p+1/t5-,6-,7+,8-,10+/m1/s1
InChIKey: FURNYGCGTCIRPM-GBMPTNJUSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O
CACTVS 3.341CO[C@H](O)c1[nH]c2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)[n+]2c1
ACDLabs 10.04OC(OC)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO
OpenEye OEToolkits 1.5.0COC(c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O)O
CACTVS 3.341CO[CH](O)c1[nH]c2[CH](O)[CH](O)[CH](O)[CH](CO)[n+]2c1
Name:METHOXYCARBONYL-SUBSTITUTED GLUCOIMIDAZOLE
ZINC: ZINC000103543065
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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