trans,trans-farnesyl diphosphate   

GtoPdb Ligand ID: 3050

Synonyms: (E,E)-farnesyl diphosphate | all-trans-farnesyl pyrophosphate | farnesyl diphosphate | FPP | trans-farnesyl pyrophosphate
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 132.91
Molecular weight 382.13
XLogP 1.89
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CC(=CCOP(=O)(OP(=O)(O)O)O)CCC=C(CCC=C(C)C)C
Isomeric SMILES C/C(=C\COP(=O)(OP(=O)(O)O)O)/CC/C=C(/CCC=C(C)C)\C
InChI InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
InChI Key VWFJDQUYCIWHTN-YFVJMOTDSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate
Synonyms
(E,E)-farnesyl diphosphate | all-trans-farnesyl pyrophosphate | farnesyl diphosphate | FPP | trans-farnesyl pyrophosphate
Database Links
CAS Registry No. 372-97-4 (source: Scifinder)
ChEBI CHEBI:17407
ChEMBL Ligand CHEMBL69330
DrugBank Ligand DB07780
GtoPdb PubChem SID 135651580
PubChem CID 445713
RCSB PDB Ligand FPP
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