BioLiP

PDB

BioLiP

PDB CCD ID:

A1I19

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O3

InChI:

InChI=1S/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3/t5-/m1/s1

InChIKey:

JFZRRXGXEHUJCI-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)[CH]1CN(C)C(=O)C1
OpenEye OEToolkits 2.0.7	CN1CC(CC1=O)C(=O)OC
OpenEye OEToolkits 2.0.7	CN1C[C@@H](CC1=O)C(=O)OC
CACTVS 3.385	COC(=O)[C@H]1CN(C)C(=O)C1

Name:

methyl (3~{R})-1-methyl-5-oxidanylidene-pyrrolidine-3-carboxylate

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).