BioLiP

PDB

BioLiP

PDB CCD ID:

RXL

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O2

InChI:

InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8)

InChIKey:

MNDXTFKURVNNSY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=C(C(=O)O)N)C
CACTVS 3.385	CC(C)=C(N)C(O)=O

Name:

Dehydrovaline;
2-azanyl-3-methyl-but-2-enoic 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).