BioLiP

PDB

BioLiP

PDB CCD ID:

K96

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O3

InChI:

InChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13)

InChIKey:

ATXCVEYWESPIDM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(NC[C@@H]1CCCO1)N2CCOCC2
OpenEye OEToolkits 2.0.7	C1C[C@H](OC1)CNC(=O)N2CCOCC2
OpenEye OEToolkits 2.0.7	C1CC(OC1)CNC(=O)N2CCOCC2
CACTVS 3.385	O=C(NC[CH]1CCCO1)N2CCOCC2
ACDLabs 12.01	O=C(NCC1CCCO1)N1CCOCC1

Name:

N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide

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).