BioLiP

PDB

BioLiP

PDB CCD ID:

N80

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O2

InChI:

InChI=1S/C7H11NO2/c1-2-8-5-3-4-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)/t6-/m0/s1

InChIKey:

XOTIFFOSEYHBBR-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C=CN1CCCC1C(=O)O
OpenEye OEToolkits 1.9.2	C=CN1CCC[C@H]1C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCCN1C=C
CACTVS 3.385	OC(=O)[C@@H]1CCCN1C=C
ACDLabs 12.01	O=C(O)C1N(\C=C)CCC1

Name:

1-ethenyl-L-proline

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).