SEQ2FUN

BioLiP

PDB CCD ID: FII
Number of entries in BioLiP: 15
Chemical formula: C17 H30 N O5 P
InChI: InChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+
InChIKey: JAOBYUCYSAOLHS-XGGJEREUSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NOC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)CP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCONC(=O)CP(=O)(O)O)C)C)C
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C
CACTVS 3.341CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)C[P](O)(O)=O
CACTVS 3.341CC(C)=CCCC(C)=CCCC(C)=CCONC(=O)C[P](O)(O)=O
Name:[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID;
FPP ANALOG
DrugBank: DB07771
ZINC: ZINC000002046984
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).