BioLiP

PDB

BioLiP

PDB CCD ID:

BWF

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O5

InChI:

InChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h4-5,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-/t5-/m0/s1

InChIKey:

ROSCYVZNGZEOEY-YIWIKUPCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CC(N(C1)C(=O)O)C(=CC(=O)O)O
CACTVS 3.385	OC(=O)C=C(O)[CH]1CCCN1C(O)=O
OpenEye OEToolkits 2.0.7	C1C[C@H](N(C1)C(=O)O)/C(=C/C(=O)O)/O
CACTVS 3.385	OC(=O)\C=C(O)\[C@@H]1CCCN1C(O)=O

Name:

(2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-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).