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BioLiP

PDB CCD ID: TVM
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc(c1)COC2C(C(OC(C2O)O)CO)O
CACTVS 3.385COc1cccc(CO[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)c1
OpenEye OEToolkits 2.0.7COc1cccc(c1)CO[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O)CO)O
ACDLabs 12.01C2(O)C(OCc1cc(ccc1)OC)C(C(OC2CO)O)O
CACTVS 3.385COc1cccc(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, 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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