BioLiP

PDB

BioLiP

PDB CCD ID:

VVR

Number of entries in BioLiP:

Chemical formula:

C9 H10 O3

InChI:

InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

InChIKey:

BUSOTUQRURCMCM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCOc1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)OCCC(=O)O
ACDLabs 12.01	O=C(O)CCOc1ccccc1

Name:

3-phenoxypropanoic acid

ZINC:

ZINC000000080797

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).