BioLiP

PDB

BioLiP

PDB CCD ID:

OXP

Number of entries in BioLiP:

Chemical formula:

C5 H6 O3

InChI:

InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3H,1H3,(H,7,8)/b3-2-

InChIKey:

IWARWSDDJHGZOW-IHWYPQMZSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C\C=C/C(=O)C(O)=O
CACTVS 3.341	CC=CC(=O)C(O)=O
ACDLabs 10.04	O=C(\C=C/C)C(=O)O
OpenEye OEToolkits 1.5.0	C\C=C/C(=O)C(=O)O
OpenEye OEToolkits 1.5.0	CC=CC(=O)C(=O)O

Name:

2-OXO-3-PENTENOIC ACID

DrugBank:

DB02005

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).