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BioLiP

PDB CCD ID: ZHL
Number of entries in BioLiP: 1
Chemical formula: C16 H23 N O8
InChI: InChI=1S/C16H23NO8/c1-5(19)17-10-12(21)11(20)9(4-18)23-16(10)25-13-6-2-7-8(3-6)15(22)24-14(7)13/h6-14,16,18,20-21H,2-4H2,1H3,(H,17,19)/t6-,7+,8-,9+,10+,11+,12+,13-,14-,16-/m0/s1
InChIKey: AZLZNNDRSGSYAX-NWESXJQGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)NC1C(C(C(OC1OC2C3CC4C2OC(=O)C4C3)CO)O)O
ACDLabs 12.01CC(=O)NC1C(O)C(O)C(CO)OC1OC1C2OC(=O)C3CC1CC23
CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH]3C[CH]4[CH](C3)C(=O)O[CH]24
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]3C[C@H]4[C@@H]2OC(=O)[C@H]4C3)CO)O)O
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C@H]3C[C@@H]4[C@H](C3)C(=O)O[C@H]24
Name:(3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-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).
  • 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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