BioLiP

PDB

BioLiP

PDB CCD ID:

1MI

Number of entries in BioLiP:

Chemical formula:

C5 H12 O3

InChI:

InChI=1S/C5H12O3/c6-2-1-5(3-7)4-8/h5-8H,1-4H2

InChIKey:

SYNPRNNJJLRHTI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCC(CO)CO
OpenEye OEToolkits 2.0.7	C(CO)C(CO)CO

Name:

2-(hydroxymethyl)butane-1,4-diol

ZINC:

ZINC000059495355

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).