SEQ2FUN

BioLiP

PDB CCD ID: TC3
Number of entries in BioLiP: 1
Chemical formula: C3 H10 N O3 P
InChI: InChI=1S/C3H10NO3P/c1-3-7-8(5,6)4-2/h3H2,1-2H3,(H2,4,5,6)
InChIKey: NQEUCALVQNPXMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CCO[P](O)(=O)NC
OpenEye OEToolkits 1.6.1CCOP(=O)(NC)O
ACDLabs 10.04O=P(O)(OCC)NC
OpenEye OEToolkits 1.6.1CCO[P@@](=O)(NC)O
Name:ETHYL HYDROGEN METHYLAMIDOPHOSPHATE
ZINC: ZINC000058638679
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).