SEQ2FUN

BioLiP

PDB CCD ID: EOP
Number of entries in BioLiP: 2
Chemical formula: C6 H14 N2 O8 P2
InChI: InChI=1S/C6H14N2O8P2/c9-5(3-17(11,12)13)7-1-2-8-6(10)4-18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16)
InChIKey: RPUNQQORCLHWTD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NCCNC(=O)CP(=O)(O)O)CP(=O)(O)O
CACTVS 3.341O[P](O)(=O)CC(=O)NCCNC(=O)C[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O
Name:{ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID);
2,2'-(ETHANE-1,2-DIYLBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID
ZINC: ZINC000024799180
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).