SEQ2FUN

BioLiP

PDB CCD ID: TC5
Number of entries in BioLiP: 1
Chemical formula: C5 H14 N O3 P
InChI: InChI=1S/C5H14NO3P/c1-3-5-6-10(7,8)9-4-2/h3-5H2,1-2H3,(H2,6,7,8)
InChIKey: KZWTXXKNHNYEFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CCCN[P](O)(=O)OCC
ACDLabs 10.04O=P(O)(OCC)NCCC
OpenEye OEToolkits 1.6.1CCCNP(=O)(O)OCC
OpenEye OEToolkits 1.6.1CCCN[P@](=O)(O)OCC
Name:ETHYL HYDROGEN PROPYLAMIDOPHOSPHATE
ZINC: ZINC000058638682
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).