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BioLiP

PDB CCD ID: GJY
Number of entries in BioLiP: 12
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/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10-/t23-/m0/s1
InChIKey: MEHJVKGETWKOKY-SINQZMEQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC=CCC=CCC=CCCCCCCCCP(=O)(OC)F
CACTVS 3.385CCC=CCC=CCC=CCCCCCCCC[P](F)(=O)OC
CACTVS 3.385CC\C=C/C/C=C\C\C=C/CCCCCCCC[P@](F)(=O)OC
ACDLabs 12.01O=P(OC)(F)CCCCCCCC\C=C/C\C=C/C[C@H]=[C@H]CC
OpenEye OEToolkits 2.0.6CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F
Name:methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate;
Methyl alpha-Linolenyl Fluorophosphonate (MLnFP)
ZINC: ZINC000064858374
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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