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BioLiP

PDB CCD ID: U4R
Number of entries in BioLiP: 2
Chemical formula: C4 H9 O4 P
InChI: InChI=1S/C4H9O4P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+
InChIKey: KCUTZTDKOSEILP-NSCUHMNNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC=CCOP(=O)(O)O
ACDLabs 12.01O=P(O)(O)OC\C=C\C
CACTVS 3.385C/C=C/CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7C/C=C/COP(=O)(O)O
CACTVS 3.385CC=CCO[P](O)(O)=O
Name:(2E)-but-2-en-1-yl 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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