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BioLiP

PDB CCD ID: A1BFJ
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.385CNC(=O)[C@H]1CNCCO1
OpenEye OEToolkits 3.1.0.0CNC(=O)C1CNCCO1
ACDLabs 14.52O=C(NC)C1CNCCO1
OpenEye OEToolkits 3.1.0.0CNC(=O)[C@@H]1CNCCO1
CACTVS 3.385CNC(=O)[CH]1CNCCO1
Name:(2R)-N-methylmorpholine-2-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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