BioLiP

PDB

BioLiP

PDB CCD ID:

98U

Number of entries in BioLiP:

Chemical formula:

C8 H14 O6

InChI:

InChI=1S/C8H14O6/c1-3-5(10)7(14-4(2)9)6(11)8(12)13-3/h3,5-8,10-12H,1-2H3/t3-,5+,6-,7+,8+/m0/s1

InChIKey:

DSRWWNDXQIXWDI-RMQBOJNYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1C(C(C(C(O1)O)O)OC(=O)C)O
CACTVS 3.385	C[CH]1O[CH](O)[CH](O)[CH](OC(C)=O)[CH]1O
OpenEye OEToolkits 2.0.7	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)OC(=O)C)O
CACTVS 3.385	C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1O
ACDLabs 12.01	OC1C(OC(=O)C)C(O)C(OC1C)O

Name:

3-O-acetyl-6-deoxy-alpha-L-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).