SEQ2FUN

BioLiP

PDB CCD ID: DII
Number of entries in BioLiP: 4
Chemical formula: C7 H17 O3 P
InChI: InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
InChIKey: WOAFDHWYKSOANX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)OP(=O)(C)OC(C)C
CACTVS 3.341CC(C)O[P](C)(=O)OC(C)C
ACDLabs 10.04O=P(OC(C)C)(OC(C)C)C
Name:METHYLPHOSPHONIC ACID DIISOPROPYL ESTER
ChEMBL: CHEMBL1232236
DrugBank: DB02127
ZINC: ZINC000002039561
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).