BioLiP

PDB

BioLiP

PDB CCD ID:

LVN

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O3

InChI:

InChI=1S/C5H9NO3/c1-3(2-7)4(6)5(8)9/h2-4H,6H2,1H3,(H,8,9)/t3-,4+/m1/s1

InChIKey:

JHWQDNUTTOUUKV-DMTCNVIQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C=O)C(C(=O)O)N
CACTVS 3.352	C[CH](C=O)[CH](N)C(O)=O
CACTVS 3.352	C[C@H](C=O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.0	C[C@H](C=O)[C@@H](C(=O)O)N

Name:

(3S)-4-oxo-L-valine;
(2S,3S)-2-amino-3-methyl-4-oxo-butanoic 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).