BioLiP

PDB

BioLiP

PDB CCD ID:

LVG

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O2

InChI:

InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m0/s1

InChIKey:

RQVLGLPAZTUBKX-VKHMYHEASA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(\C=C)N
CACTVS 3.341	N[CH](C=C)C(O)=O
CACTVS 3.341	N[C@@H](C=C)C(O)=O
OpenEye OEToolkits 1.5.0	C=CC(C(=O)O)N
OpenEye OEToolkits 1.5.0	C=C[C@@H](C(=O)O)N

Name:

L-VINYLGLYCINE;
(2S)-2-AMINO-3-BUTENOIC ACID;
(2S)-2-AMINOBUT-3-ENOIC ACID

DrugBank:

DB03214

ZINC:

ZINC000001566185

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).