BioLiP

PDB

BioLiP

PDB CCD ID:

A1CIL

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O2

InChI:

InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h4H,1,6H2,2H3,(H,7,8)/t4-/m1/s1

InChIKey:

CJNBBWGXTPGZRW-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(=C)C(C(=O)O)N
CACTVS 3.385	CC(=C)[CH](N)C(O)=O
ACDLabs 14.52	C=C(C)C(N)C(=O)O
OpenEye OEToolkits 3.1.0.0	CC(=C)[C@H](C(=O)O)N
CACTVS 3.385	CC(=C)[C@@H](N)C(O)=O

Name:

(2R)-2-amino-3-methylbut-3-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).