BioLiP

PDB

BioLiP

PDB CCD ID:

5KO

Number of entries in BioLiP:

Chemical formula:

C4 H8 O2

InChI:

InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1

InChIKey:

HSJKGGMUJITCBW-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(CC=O)O
OpenEye OEToolkits 1.9.2	C[C@H](CC=O)O
CACTVS 3.385	C[C@@H](O)CC=O
CACTVS 3.385	C[CH](O)CC=O
ACDLabs 12.01	O=CCC(C)O

Name:

(3R)-3-hydroxybutanal;
Faropenem adduct

ZINC:

ZINC000001683663

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).