BioLiP

PDB

BioLiP

PDB CCD ID:

A1EAI

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O2

InChI:

InChI=1S/C6H9NO2/c1-2-4-3-7-5(4)6(8)9/h2,5,7H,3H2,1H3,(H,8,9)/b4-2-/t5-/m0/s1

InChIKey:

LCXPHUZMYBUAOG-PSRSYCBASA-N

SMILES:

Software	SMILES
CACTVS 3.385	C/C=C1/CN[C@@H]1C(O)=O
OpenEye OEToolkits 2.0.7	CC=C1CNC1C(=O)O
OpenEye OEToolkits 2.0.7	C/C=C\1/CN[C@@H]1C(=O)O
CACTVS 3.385	CC=C1CN[CH]1C(O)=O

Name:

(2~{S},3~{Z})-3-ethylideneazetidine-2-carboxylic acid;
3-Ethylidene-L-azetidine-2-carboxylic 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).