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BioLiP Library

PDB CCD ID: 7FA
Number of entries in BioLiP: 7
Chemical formula: C19 H34 F O2 P
InChI: InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7?,11-10-,14-13-/t23-/m1/s1
InChIKey: PYIHGLSRUVHCML-YMLCEXCJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCC=CCC=CCC=CCCCCC[P](F)(=O)OC
OpenEye OEToolkits 2.0.4CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F
CACTVS 3.385CCCCC\C=C/C/C=C\C\C=C/CCCCC[P@@](F)(=O)OC
OpenEye OEToolkits 2.0.4CCCCCC=CCC=CCC=CCCCCCP(=O)(OC)F
ACDLabs 12.01C(CCCC\C=C/C\C=C/C\C=C/CCCCC)P(F)(OC)=O
Name:methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
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)(download the PDF file).
  • 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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