SEQ2FUN

BioLiP

PDB CCD ID: 9YW
Number of entries in BioLiP: 5
Chemical formula: C8 H14 O8
InChI: InChI=1S/C8H14O8/c9-1-3-5(12)6(13)7(14)8(16-3)15-2-4(10)11/h3,5-9,12-14H,1-2H2,(H,10,11)/t3-,5-,6+,7-,8+/m1/s1
InChIKey: CEXKKLVRUODYGY-VDUCJHRSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH](OCC(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)O)O)O)O)O
OpenEye OEToolkits 2.0.6C(C1C(C(C(C(O1)OCC(=O)O)O)O)O)O
CACTVS 3.385OC[C@H]1O[C@H](OCC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Name:(alpha-D-glucopyranosyloxy)acetic acid;
Glucosylglycolate;
(alpha-D-glucosyloxy)acetic acid;
(D-glucosyloxy)acetic acid;
(glucosyloxy)acetic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).