BioLiP

PDB

BioLiP

PDB CCD ID:

UZ7

Number of entries in BioLiP:

Chemical formula:

C7 H6 O3

InChI:

InChI=1S/C7H6O3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)

InChIKey:

QIIPQYDSKRYMFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1cc(ccc1)OC(O)=O
CACTVS 3.385	OC(=O)Oc1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)OC(=O)O

Name:

phenyl hydrogen carbonate

ZINC:

ZINC000005555526

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).