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BioLiP

PDB CCD ID: 9GB
Number of entries in BioLiP: 0
Chemical formula: C7 H15 O4 P
InChI: InChI=1S/C7H15O4P/c1-3-4-7(2)5-6-11-12(8,9)10/h5H,3-4,6H2,1-2H3,(H2,8,9,10)/b7-5+
InChIKey: QFTXOINSFIOLQI-FNORWQNLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC/C(=C/COP(=O)(O)O)/C
CACTVS 3.385CCCC(C)=CCO[P](O)(O)=O
CACTVS 3.385CCCC(/C)=C/CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6CCCC(=CCOP(=O)(O)O)C
Name:[(~{E})-3-methylhex-2-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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