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BioLiP

PDB CCD ID: 9WN
Number of entries in BioLiP: 4
Chemical formula: C9 H16 O9
InChI: InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7-,9-/m1/s1
InChIKey: DDXCFDOPXBPUJC-CECBSOHTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O
CACTVS 3.385OC[C@H]1O[C@H](O[C@H](CO)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.385OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C(C1C(C(C(C(O1)OC(CO)C(=O)O)O)O)O)O
Name:(2R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoic acid;
(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid;
(2R)-2-(alpha-D-glucosyloxy)-3-hydroxypropanoic acid;
(2R)-2-(D-glucosyloxy)-3-hydroxypropanoic acid;
(2R)-2-(glucosyloxy)-3-hydroxypropanoic acid
ZINC: ZINC000059066339
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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