BioLiP

PDB

BioLiP

PDB CCD ID:

A1BFJ

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O2

InChI:

InChI=1S/C6H12N2O2/c1-7-6(9)5-4-8-2-3-10-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m1/s1

InChIKey:

JOFDGSQZWZFPJC-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNC(=O)[C@H]1CNCCO1
OpenEye OEToolkits 3.1.0.0	CNC(=O)C1CNCCO1
ACDLabs 14.52	O=C(NC)C1CNCCO1
OpenEye OEToolkits 3.1.0.0	CNC(=O)[C@@H]1CNCCO1
CACTVS 3.385	CNC(=O)[CH]1CNCCO1

Name:

(2R)-N-methylmorpholine-2-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).