BioLiP

PDB

BioLiP

PDB CCD ID:

YCH

Number of entries in BioLiP:

Chemical formula:

C3 H7 B O4

InChI:

InChI=1S/C3H7BO4/c5-1-3-2-7-4(6)8-3/h3,5-6H,1-2H2/t3-/m0/s1

InChIKey:

HXGHIZVNPXUHFK-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH]1COB(O)O1
CACTVS 3.385	OC[C@H]1COB(O)O1
OpenEye OEToolkits 2.0.7	B1(OCC(O1)CO)O
OpenEye OEToolkits 2.0.7	B1(OC[C@@H](O1)CO)O

Name:

[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol

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).