BioLiP

PDB

BioLiP

PDB CCD ID:

60A

Number of entries in BioLiP:

Chemical formula:

C6 H14 O4

InChI:

InChI=1S/C6H14O4/c1-6(10-5-8)4-9-3-2-7/h6-8H,2-5H2,1H3/t6-/m1/s1

InChIKey:

DTSSVYVAVAHLGJ-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(COCCO)OCO
CACTVS 3.385 OpenEye OEToolkits 2.0.4	C[C@H](COCCO)OCO
CACTVS 3.385	C[CH](COCCO)OCO

Name:

2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol

ZINC:

ZINC000584905193

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).