BioLiP

PDB

BioLiP

PDB CCD ID:

P87

Number of entries in BioLiP:

Chemical formula:

C11 H19 N O2

InChI:

InChI=1S/C11H19NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h10H,1-9H2/t10-/m0/s1

InChIKey:

QMNDAUGCAGNHLO-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C1CCN(C1)C(=O)CC[C@H]2CCOC2
CACTVS 3.385	O=C(CC[CH]1CCOC1)N2CCCC2
ACDLabs 12.01	O=C(N1CCCC1)CCC2CCOC2
CACTVS 3.385	O=C(CC[C@H]1CCOC1)N2CCCC2
OpenEye OEToolkits 2.0.4	C1CCN(C1)C(=O)CCC2CCOC2

Name:

3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one

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).