BioLiP

PDB

BioLiP

PDB CCD ID:

8WQ

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O6

InChI:

InChI=1S/C7H9NO6/c9-2-1-8-4(6(11)12)3(2)5(10)7(13)14/h2-4,8-9H,1H2,(H,11,12)(H,13,14)/t2-,3-,4-/m0/s1

InChIKey:

XAWWSRPWEJXFEU-HZLVTQRSSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1CN[CH]([CH]1C(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	C1C(C(C(N1)C(=O)O)C(=O)C(=O)O)O
CACTVS 3.385	O[C@H]1CN[C@@H]([C@H]1C(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O

Name:

(2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-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).