BioLiP

PDB

BioLiP

PDB CCD ID:

FW5

Number of entries in BioLiP:

Chemical formula:

C4 H10 O3

InChI:

InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1

InChIKey:

PSJBSUHYCGQTHZ-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COCC(CO)O
OpenEye OEToolkits 2.0.6	COC[C@H](CO)O
CACTVS 3.385	COC[CH](O)CO
CACTVS 3.385	COC[C@@H](O)CO

Name:

(2~{S})-3-methoxypropane-1,2-diol

ZINC:

ZINC000001866958

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).