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BioLiP

PDB CCD ID: GLE
Number of entries in BioLiP: 1
Chemical formula: C16 H32 F3 O6 P
InChI: InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKey: YBCDZAGHRGXDRX-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC
CACTVS 3.341CCCCCCCCCCOC[CH](COCC(F)(F)F)O[P](O)(=O)OC
ACDLabs 10.04FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC
CACTVS 3.341CCCCCCCCCCOC[C@@H](COCC(F)(F)F)O[P@](O)(=O)OC
Name:1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL
DrugBank: DB07836
ZINC: ZINC000015529503
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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