BioLiP

PDB

BioLiP

PDB CCD ID:

A1EAJ

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h3,5H,7H2,1-2H3,(H,8,9)/b4-3-/t5-/m0/s1

InChIKey:

WLNGAYXEECPGBD-XUELKZDXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC=C(C)C(C(=O)O)N
OpenEye OEToolkits 2.0.7	C/C=C(/C)\[C@@H](C(=O)O)N
CACTVS 3.385	C\C=C(C)/[C@H](N)C(O)=O
CACTVS 3.385	CC=C(C)[CH](N)C(O)=O

Name:

(~{Z},2~{S})-2-azanyl-3-methyl-pent-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).