BioLiP

PDB

BioLiP

PDB CCD ID:

9QG

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O
OpenEye OEToolkits 2.0.6	CC(C(=O)O)OC1C(C(OC(C1O)OC)CO)O
CACTVS 3.385	CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](C)C(O)=O)[C@H]1O
CACTVS 3.385	CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1O
ACDLabs 12.01	O(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, 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).