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BioLiP

PDB CCD ID: XDX
Number of entries in BioLiP: 2
Chemical formula: C9 H17 O12 P
InChI: InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1
InChIKey: RJDBNSZFZDWPFL-CECBSOHTSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH](O[CH](CO[P](O)(O)=O)C(O)=O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O
OpenEye OEToolkits 2.0.4C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)(O)O)C(=O)O)O)O)O)O
CACTVS 3.385OC[C@H]1O[C@H](O[C@H](CO[P](O)(O)=O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.4C(C1C(C(C(C(O1)OC(COP(=O)(O)O)C(=O)O)O)O)O)O
Name:(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid;
(2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid;
(2R)-2-(D-glucosyloxy)-3-(phosphonooxy)propanoic acid;
(2R)-2-(glucosyloxy)-3-(phosphonooxy)propanoic acid
ZINC: ZINC000059065608
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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