BioLiP

PDB

BioLiP

PDB CCD ID:

4AT

Number of entries in BioLiP:

Chemical formula:

C6 H10 O3

InChI:

InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)

InChIKey:

MGTZCLMLSSAXLD-UHFFFAOYSA-N

SMILES:

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

Name:

5-OXOHEXANOIC ACID;
4-ACETYLBUTYRIC ACID

ZINC:

ZINC000000901275

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).