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BioLiP Library

PDB CCD ID: FPG
Number of entries in BioLiP: 2
Chemical formula: C10 H23 F O7 P2
InChI: InChI=1S/C10H23FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,14)/t9-,10+/m1/s1
InChIKey: JUOIVVAWJCVSPX-ZJUUUORDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O
CACTVS 3.341CC(C)CCC[C](C)(O[P](O)(=O)O[P](O)(O)=O)[CH](C)F
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)(C(C)F)OP(=O)(O)OP(=O)(O)O
CACTVS 3.341CC(C)CCC[C@](C)(O[P@](O)(=O)O[P](O)(O)=O)[C@@H](C)F
ACDLabs 10.04O=P(OP(=O)(OC(C(F)C)(C)CCCC(C)C)O)(O)O
Name:(1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE
ZINC: ZINC000034855091
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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