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BioLiP Library

PDB CCD ID: ZG9
Number of entries in BioLiP: 1
Chemical formula: C14 H25 N O8
InChI: InChI=1S/C14H25NO8/c1-8(16)15-11-13(18)12(17)10(7-19-2)23-14(11)22-6-9-5-20-3-4-21-9/h9-14,17-18H,3-7H2,1-2H3,(H,15,16)/t9-,10+,11+,12+,13+,14+/m0/s1
InChIKey: OSYFGNJAUIHPSL-YHBOFVJASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2COCCO2)COC)O)O
CACTVS 3.385COC[CH]1O[CH](OC[CH]2COCCO2)[CH](NC(C)=O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7CC(=O)NC1C(C(C(OC1OCC2COCCO2)COC)O)O
CACTVS 3.385COC[C@H]1O[C@@H](OC[C@@H]2COCCO2)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
ACDLabs 12.01CC(=O)NC1C(O)C(O)C(COC)OC1OCC1COCCO1
Name:[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside
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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