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BioLiP

PDB CCD ID: 0XI
Number of entries in BioLiP: 2
Chemical formula: C10 H13 O4 P
InChI: InChI=1S/C10H13O4P/c1-9(7-8-14-15(11,12)13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,11,12,13)/b9-7+
InChIKey: ZTZVGLLIAUIWHJ-VQHVLOKHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C/C(=C\COP(=O)(O)O)/c1ccccc1
ACDLabs 12.01C/C(=C\COP(=O)(O)O)c1ccccc1
CACTVS 3.385CC(=CCO[P](O)(O)=O)c1ccccc1
OpenEye OEToolkits 2.0.7CC(=CCOP(=O)(O)O)c1ccccc1
CACTVS 3.385C\C(=C/CO[P](O)(O)=O)c1ccccc1
Name:(2E)-3-phenylbut-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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