BioLiP

PDB

BioLiP

PDB CCD ID:

SZR

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O3

InChI:

InChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h4,7H,1-2H2,(H,8,9)/t4-/m1/s1

InChIKey:

UKXWUSDTTHLVST-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC(C(=O)O)O)C#N
ACDLabs 12.01	O=C(O)C(O)CCC#N
CACTVS 3.385	O[CH](CCC#N)C(O)=O
CACTVS 3.385	O[C@H](CCC#N)C(O)=O
OpenEye OEToolkits 2.0.7	C(C[C@H](C(=O)O)O)C#N

Name:

(2R)-4-cyano-2-hydroxybutanoic acid

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).