BioLiP

PDB

BioLiP

PDB CCD ID:

TVG

Number of entries in BioLiP:

Chemical formula:

C9 H18 O6

InChI:

InChI=1S/C9H18O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h5-13H,2-4H2,1H3/t5-,6-,7-,8+,9-/m1/s1

InChIKey:

HCLWENMJMONBDC-GOFVFXDOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
ACDLabs 12.01	OC1C(OC(C1O)OCCC)C(CO)O
CACTVS 3.385	CCCO[CH]1O[CH]([CH](O)CO)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	CCCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O
OpenEye OEToolkits 2.0.7	CCCOC1C(C(C(O1)C(CO)O)O)O

Name:

propyl beta-D-galactofuranoside

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).