BioLiP

PDB

BioLiP

PDB CCD ID:

7YL

Number of entries in BioLiP:

Chemical formula:

C5 H5 N O3

InChI:

InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-3H,(H,6,7)(H,8,9)/t3-/m1/s1

InChIKey:

BAQXAKWDKIIPEC-GSVOUGTGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[C@@H]1NC(=O)C=C1
OpenEye OEToolkits 2.0.6	C1=CC(=O)NC1C(=O)O
CACTVS 3.385	OC(=O)[CH]1NC(=O)C=C1
OpenEye OEToolkits 2.0.6	C1=CC(=O)N[C@H]1C(=O)O

Name:

(2R)-5-oxidanylidene-1,2-dihydropyrrole-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).