BioLiP

PDB

BioLiP

PDB CCD ID:

CDG

Number of entries in BioLiP:

Chemical formula:

C10 H16 O8

InChI:

InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1

InChIKey:

ZDZVLEQWFATHTF-IJWOWSJNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1(OCC2C(O1)C(C(C(O2)OC)O)O)C(=O)O
CACTVS 3.341	CO[C@@H]1O[C@@H]2CO[C@](C)(O[C@@H]2[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0	C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O
CACTVS 3.341	CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04	O=C(O)C1(OCC2OC(OC)C(O)C(O)C2O1)C

Name:

METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE

DrugBank:

DB01651

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).