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BioLiP Library

PDB CCD ID: POA
Number of entries in BioLiP: 20
Chemical formula: C2 H5 O4 P
InChI: InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)
InChIKey: YEMKIGUKNDOZEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)CC=O
OpenEye OEToolkits 1.5.0C(C=O)P(=O)(O)O
ACDLabs 10.04O=CCP(=O)(O)O
Name:PHOSPHONOACETALDEHYDE
DrugBank: DB03174
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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