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BioLiP

PDB CCD ID: U8Z
Number of entries in BioLiP: 2
Chemical formula: C3 H7 O6 P
InChI: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h2,4-5H,1H2,(H2,6,7,8)/b3-2+
InChIKey: MCQBMKDEIFHCJL-NSCUHMNNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC\C(O)=C/O[P](O)(O)=O
OpenEye OEToolkits 2.0.7C(C(=COP(=O)(O)O)O)O
OpenEye OEToolkits 2.0.7C(/C(=C\OP(=O)(O)O)/O)O
CACTVS 3.385OCC(O)=CO[P](O)(O)=O
Name:[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
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).
  • 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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