BioLiP

PDB

BioLiP

PDB CCD ID:

2DB

Number of entries in BioLiP:

Chemical formula:

C3 H10 B O6

InChI:

InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1

InChIKey:

KLKDDPLTQSQDLA-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[C@H](O)CO[B-](O)(O)O
ACDLabs 10.04	O[B-](O)(O)OCC(O)CO
CACTVS 3.341	OC[CH](O)CO[B-](O)(O)O
OpenEye OEToolkits 1.5.0	[B-](O)(O)(O)OCC(CO)O
OpenEye OEToolkits 1.5.0	[B-](O)(O)(O)OC[C@H](CO)O

Name:

(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE

ZINC:

ZINC000196075144

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).