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BioLiP Library

PDB CCD ID: 9QG
Number of entries in BioLiP: 1
Chemical formula: C10 H18 O8
InChI: InChI=1S/C10H18O8/c1-4(9(14)15)17-8-6(12)5(3-11)18-10(16-2)7(8)13/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5-,6+,7-,8+,10-/m1/s1
InChIKey: PXMURYZLIUEKLA-BEESJRNYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O
OpenEye OEToolkits 2.0.6CC(C(=O)O)OC1C(C(OC(C1O)OC)CO)O
CACTVS 3.385CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](C)C(O)=O)[C@H]1O
CACTVS 3.385CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1O
ACDLabs 12.01O(C)C1OC(CO)C(C(C1O)OC(C(O)=O)C)O
Name:methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside;
methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactoside;
methyl 3-O-[(1R)-1-carboxyethyl]-D-galactoside;
methyl 3-O-[(1R)-1-carboxyethyl]-galactoside
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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