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BioLiP

PDB CCD ID: MAY
Number of entries in BioLiP: 23
Chemical formula: C21 H36 F O2 P
InChI: InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1
InChIKey: KWKZCGMJGHHOKJ-WTIHWRCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@](=O)(OC)F
CACTVS 3.370CCCCCC=CCC=CCC=CCC=CCCCC[P](F)(=O)OC
OpenEye OEToolkits 1.7.0CCCCCC=CCC=CCC=CCC=CCCCCP(=O)(OC)F
CACTVS 3.370CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC[P@](F)(=O)OC
ACDLabs 12.01FP(=O)(OC)CCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
Name:METHYL ARACHIDONYL FLUOROPHOSPHONATE;
MAFP
DrugBank: DB02465
ZINC: ZINC000017654246

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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