BioLiP

PDB

BioLiP

PDB CCD ID:

TVM

Number of entries in BioLiP:

Chemical formula:

C14 H20 O7

InChI:

InChI=1S/C14H20O7/c1-19-9-4-2-3-8(5-9)7-20-13-11(16)10(6-15)21-14(18)12(13)17/h2-5,10-18H,6-7H2,1H3/t10-,11+,12-,13+,14-/m1/s1

InChIKey:

UGTWEYDLNXWGMR-XHJNMGKDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cccc(c1)COC2C(C(OC(C2O)O)CO)O
CACTVS 3.385	COc1cccc(CO[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)c1
OpenEye OEToolkits 2.0.7	COc1cccc(c1)CO[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O)CO)O
ACDLabs 12.01	C2(O)C(OCc1cc(ccc1)OC)C(C(OC2CO)O)O
CACTVS 3.385	COc1cccc(CO[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)c1

Name:

3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose

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).