BioLiP

PDB

BioLiP

PDB CCD ID:

FEH

Number of entries in BioLiP:

Chemical formula:

C8 H10 O2

InChI:

InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m0/s1

InChIKey:

PWMWNFMRSKOCEY-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(CO)O
ACDLabs 12.01	OC(c1ccccc1)CO
CACTVS 3.385	OC[C@H](O)c1ccccc1
OpenEye OEToolkits 1.7.6	c1ccc(cc1)[C@H](CO)O
CACTVS 3.385	OC[CH](O)c1ccccc1

Name:

(1R)-1-phenylethane-1,2-diol

ZINC:

ZINC000000391853

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).