Record Information
Version1.0
Creation date2011-09-21 00:28:59 UTC
Update date2020-09-17 15:39:18 UTC
Primary IDFDB023377
Secondary Accession Numbers
  • FDB030885
Chemical Information
FooDB NameGeranylgeranyl-PP
DescriptionGeranylgeranyl-PP, also known as GGDP or GGPP diphosphate, belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Thus, geranylgeranyl-PP is considered to be an isoprenoid lipid molecule. Geranylgeranyl-PP is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
CAS Number6699-20-3
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
Water Solubility0.0046 g/LALOGPS
logP3.57ALOGPS
logP5.28ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)1.77ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area113.29 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity120.53 m³·mol⁻¹ChemAxon
Polarizability47.82 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC20H36O7P2
IUPAC name{[hydroxy({[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy})phosphoryl]oxy}phosphonic acid
InChI IdentifierInChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+
InChI KeyOINNEUNVOZHBOX-QIRCYJPOSA-N
Isomeric SMILESCC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O
Average Molecular Weight450.4432
Monoisotopic Molecular Weight450.19362653
Classification
Description Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassDiterpenoids
Direct ParentAcyclic diterpenoids
Alternative Parents
Substituents
  • Acyclic diterpenoid
  • Organic pyrophosphate
  • Isoprenoid phosphate
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Biological location:

Source:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSGeranylgeranyl-PP, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-00p1-8966200000-998d239f267a150b43edSpectrum
Predicted GC-MSGeranylgeranyl-PP, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - Orbitrap 11V, negativesplash10-0002-0000900000-e7c9a733fcef12117c3d2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 15V, negativesplash10-0002-1000900000-51a8d5ce498d65e796912020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 19V, negativesplash10-004j-9000800000-4beea4fd2eb20ffa4ad92020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 26V, negativesplash10-004i-9000000000-4db0a53ff36e5e4b99352020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 31V, negativesplash10-004i-9000000000-cf199ce4e78be9534fb72020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 37V, negativesplash10-004i-9000000000-7867ab9db012f87e43c82020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 44V, negativesplash10-004i-9000000000-be17e3662a7647d871aa2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 52V, negativesplash10-004i-9000000000-1f4ff46767d08f6c48242020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 60V, negativesplash10-004i-9000000000-d99bb72e9136380d86982020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 72V, negativesplash10-004i-9000000000-d99bb72e9136380d86982020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 31V, negativesplash10-001i-0300900000-fecb2380f7e0ec863abc2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 31V, negativesplash10-004i-9000000000-5ef060d5ec4b80c35c1a2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 31V, negativesplash10-0a4i-0900000000-dc954ce23ecf1a2631892020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 31V, negativesplash10-0a4i-0900000000-8ab5606bd668c2535e4d2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 31V, negativesplash10-004i-9000000000-5ef060d5ec4b80c35c1a2020-07-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0fk9-1394600000-c6d91e9bfb5eeb46563e2016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-3592000000-c8aa1820057f6139aad82016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00xs-5690000000-5fa48d769648b6310c2d2016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0400900000-86700e111b6b2b0215c02016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-057i-7900100000-c5c0d2a89df8d138cebb2016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-0ec0eed3d4d479d9c0022016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-1214900000-f698165f4dfead7c9d552021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-1189100000-6a265357a808fdf96bf82021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-05s1-3910000000-59003e6f3766239ee38a2021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0000900000-582b037b919c4a7e747f2021-09-23View Spectrum
NMRNot Available
ChemSpider ID394418
ChEMBL IDCHEMBL1229266
KEGG Compound IDC00353
Pubchem Compound ID447277
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB04486
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID1759656
KNApSAcK IDNot Available
HET IDGRG
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference