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BioLiP

PDB CCD ID: TVY
Number of entries in BioLiP: 1
Chemical formula: C14 H21 N O6
InChI: InChI=1S/C14H21NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,6-7,15H2/t9-,10-,11-,12+,13+,14+/m1/s1
InChIKey: TUDGLRPNTITXOM-TVQXOTEMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccccc2
CACTVS 3.385NC[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
ACDLabs 12.01c1cccc(c1)C(OC2C(O)C(C(C(O2)CO)O)O)CN
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(CN)OC2C(C(C(C(O2)CO)O)O)O
Name:(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside
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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