Showing Metabocard for (2E,6E)-farnesyl diphosphate (BASm0011615)

Common Name(2e,6e)-farnesyl diphosphate
Descriptiontrue
Structure
Molecular FormulaC15H28O7P2
Average Mass382.33000
Monoisotopic Mass382.13103
IUPAC Name{[hydroxy({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy})phosphoryl]oxy}phosphonic acid
Traditional Name{hydroxy[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxyphosphoryl}oxyphosphonic acid
CAS Registry Number13058-04-03
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
InChI IdentifierInChI=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 KeyVWFJDQUYCIWHTN-YFVJMOTDSA-N
CHEBI IDCHEBI:175763
HMDB IDHMDB0000961
Pathways
NameSMPDB/PathBank
Steroid Biosynthesis
Porphyrin Metabolism
Ibandronate Action Pathway
Simvastatin Action Pathway
Pravastatin Action Pathway
Rosuvastatin Action Pathway
Alendronate Action Pathway
Lovastatin Action Pathway
Zoledronate Action Pathway
Cerivastatin Action Pathway
Risedronate Action Pathway
Pamidronate Action Pathway
Fluvastatin Action Pathway
Atorvastatin Action Pathway
Hypercholesterolemia
Lysosomal Acid Lipase Deficiency (Wolman Disease)
Hereditary Coproporphyria (HCP)
Acute Intermittent Porphyria
Congenital Erythropoietic Porphyria (CEP) or Gunther Disease
Porphyria Variegata (PV)
Desmosterolosis
CHILD Syndrome
Chondrodysplasia Punctata II, X Linked Dominant (CDPX2)
Smith-Lemli-Opitz Syndrome (SLOS)
Cholesteryl ester storage disease
Hyper-IgD syndrome
Mevalonic aciduria
Wolman disease
StateSolid
Water Solubility8.07e-02 g/l
logP2.40
logS-3.68
pKa (Strongest Acidic)1.77
pKa (Strongest Basic)Not Available
Hydrogen Acceptor Count5
Hydrogen Donor Count3
Polar Surface Area113.29 Ų
Rotatable Bond Count11
Physiological Charge-2
Formal Charge0
Refractivity96.73 m³·mol⁻¹
Polarizability37.94

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