SEQ2FUN

BioLiP

PDB CCD ID: A1A7X
Number of entries in BioLiP: 1
Chemical formula: C20 H34 F O7 P
InChI: InChI=1S/C20H34FO7P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-26-29(24,25)28-20-18(21)19(23)17(13-22)27-20/h7,9,11,17-20,22-23H,5-6,8,10,12-13H2,1-4H3,(H,24,25)/b15-9+,16-11+/t17-,18+,19-,20+/m1/s1
InChIKey: UVMYWRMMMKEFCL-KTRXZIFQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCC/C(=C/COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)F)/C)C)C
CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1F
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(O1)CO)O)F)C)C)C
CACTVS 3.385CC(C)=CCC/C(C)=C/CC\C(C)=C\CO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
ACDLabs 14.52FC1C(O)C(CO)OC1OP(O)(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
Name:2-deoxy-2-fluoro-1-O-[(S)-hydroxy{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}phosphoryl]-beta-D-arabinofuranose
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).