BioLiP

PDB

BioLiP

PDB CCD ID:

FJO

Number of entries in BioLiP:

Chemical formula:

C3 H8 O4

InChI:

InChI=1S/C3H8O4/c4-2-1-3(5,6)7/h4-7H,1-2H2

InChIKey:

VQAQNRIKRHUZBR-UHFFFAOYSA-N

SMILES:

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

Name:

propane-1,1,1,3-tetrol

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).