BioLiP

PDB

BioLiP

PDB CCD ID:

FBE

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O2

InChI:

InChI=1S/C5H9NO2/c6-4-2-1-3-5(7)8/h1-2H,3-4,6H2,(H,7,8)/b2-1+

InChIKey:

IACMVGAGEKETDA-OWOJBTEDSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC/C=C/CC(O)=O
ACDLabs 12.01	O=C(O)C/C=C/CN
OpenEye OEToolkits 1.7.0	C(C=CCN)C(=O)O
CACTVS 3.370	NCC=CCC(O)=O
OpenEye OEToolkits 1.7.0	C(/C=C/CN)C(=O)O

Name:

(3E)-5-aminopent-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).