SEQ2FUN

BioLiP

PDB CCD ID: 129
Number of entries in BioLiP: 1
Chemical formula: C3 H8 N O5 P
InChI: InChI=1S/C3H8NO5P/c5-3-4(6)1-2-10(7,8)9/h3,6H,1-2H2,(H2,7,8,9)
InChIKey: NBAIGNUEKZLOMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341ON(CC[P](O)(O)=O)C=O
OpenEye OEToolkits 1.5.0C(CP(=O)(O)O)N(C=O)O
ACDLabs 10.04O=P(O)(O)CCN(O)C=O
Name:[2(FORMYL-HYDROXY-AMINO)-ETHYL]-PHOSPHONIC ACID
DrugBank: DB03135
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).