BioLiP

PDB

BioLiP

PDB CCD ID:

6IW

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1

InChIKey:

FMIPNAUMSPFTHK-WHFBIAKZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1CC(CC1C(=O)O)O
CACTVS 3.385	CN1C[CH](O)C[CH]1C(O)=O
CACTVS 3.385	CN1C[C@@H](O)C[C@H]1C(O)=O
OpenEye OEToolkits 2.0.7	CN1C[C@H](C[C@H]1C(=O)O)O

Name:

(2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-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).