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BioLiP

PDB CCD ID: BNX
Number of entries in BioLiP: 5
Chemical formula: C6 H13 O9 P
InChI: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKey: SIUIENVKPUKAHD-VFUOTHLCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@@H](O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=P(OC1C(O)C(O)C(OC1O)CO)(O)O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)OP(=O)(O)O)O)O)O
CACTVS 3.385OC[CH]1O[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O
Name:2-O-phosphono-beta-D-glucopyranose;
2-O-phosphono-beta-D-glucose;
2-O-phosphono-D-glucose;
2-O-phosphono-glucose
ZINC: ZINC000013507637
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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