BioLiP

PDB

BioLiP

PDB CCD ID:

DYL

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O2

InChI:

InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1

InChIKey:

WNNNWFKQCKFSDK-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C=CCC(C(=O)O)N
CACTVS 3.385	N[C@H](CC=C)C(O)=O
OpenEye OEToolkits 1.7.6	C=CC[C@H](C(=O)O)N
CACTVS 3.385	N[CH](CC=C)C(O)=O
ACDLabs 12.01	O=C(O)C(N)C/C=C

Name:

(2R)-2-aminopent-4-enoic acid

ChEMBL:

CHEMBL554311

ZINC:

ZINC000001571335

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).