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BioLiP

PDB CCD ID: U5O
Number of entries in BioLiP: 2
Chemical formula: C5 H11 O4 P
InChI: InChI=1S/C5H11O4P/c1-3-5(2)4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)/b5-3+
InChIKey: LEHUQIAIMZSVST-HWKANZROSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OCC(\C)=C\C
CACTVS 3.385C/C=C(C)/CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC=C(C)COP(=O)(O)O
OpenEye OEToolkits 2.0.7C/C=C(\C)/COP(=O)(O)O
CACTVS 3.385CC=C(C)CO[P](O)(O)=O
Name:(2E)-2-methylbut-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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