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BioLiP

PDB CCD ID: 7NU
Number of entries in BioLiP: 4
Chemical formula: C13 H16 O6
InChI: InChI=1S/C13H16O6/c14-9-10(15)12(8-6-17-8)19-13(11(9)16)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10-,11-,12-,13-/m1/s1
InChIKey: BGULDTQQEDQGRU-LREJFELKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)OC2C(C(C(C(O2)C3CO3)O)O)O
OpenEye OEToolkits 2.0.6c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]([CH]2CO2)[CH]1O)Oc3ccccc3
CACTVS 3.385O[C@@H]1[C@@H](O)[C@@H](O[C@H]([C@H]2CO2)[C@@H]1O)Oc3ccccc3
Name:phenyl 6,7-anhydro-D-glycero-beta-D-galacto-heptopyranoside;
Phenyl 6,7-dideoxy-6,7-epoxy-beta-D-galacto-heptopyranoside(6D);
phenyl 6,7-anhydro-D-glycero-beta-D-galacto-heptoside;
phenyl 6,7-anhydro-D-glycero-D-galacto-heptoside;
phenyl 6,7-anhydro-D-glycero-galacto-heptoside
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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