BioLiP

PDB

BioLiP

PDB CCD ID:

A1BXY

Number of entries in BioLiP:

Chemical formula:

C3 H2 O2

InChI:

InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)

InChIKey:

UORVCLMRJXCDCP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52 OpenEye OEToolkits 3.1.0.0	C#CC(=O)O
CACTVS 3.385	OC(=O)C#C

Name:

prop-2-ynoic acid

ChEMBL:

CHEMBL1213530

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).