ContaminantDB: Geranylgeranyl-PP

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-26 05:59:04 UTC

Update Date

2026-04-03 00:34:43 UTC

Accession Number

CHEM035680

Identification

Common Name

Geranylgeranyl-PP

Class

Small Molecule

Description

Contaminant Sources

FooDB Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
all-trans-Geranylgeranyl diphosphate	ChEBI
all-trans-Geranylgeranyl pyrophosphate	ChEBI
Geranylgeranyl diphosphate	ChEBI
Geranylgeranyl pyrophosphate	ChEBI
GGDP	ChEBI
(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl diphosphate	Kegg
all-trans-Geranylgeranyl diphosphoric acid	Generator
all-trans-Geranylgeranyl pyrophosphoric acid	Generator
Geranylgeranyl diphosphoric acid	Generator
Geranylgeranyl pyrophosphoric acid	Generator
(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl diphosphoric acid	Generator
2-trans,6-trans,10-trans-Geranylgeranyl diphosphate	HMDB
3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl diphosphate	HMDB
all-trans-Geranyl-geranyl-PP	HMDB
Geranylgeranyl-diphosphate	HMDB
Geranylgeraniol diphosphate	HMDB
Geranylgeranyl pyrophosphate, (Z,e,e)-isomer	HMDB
Nerylneryl diphosphate	HMDB
GGPP Diphosphate	HMDB
Geranylgeranyl pyrophosphate, 14C-labeled, (e,e,e)-isomer	HMDB
GGPP CPD	HMDB

Chemical Formula

C₂₀H₃₆O₇P₂

Average Molecular Mass

450.443 g/mol

Monoisotopic Mass

450.194 g/mol

CAS Registry Number

6699-20-3

IUPAC Name

{[hydroxy({[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy})phosphoryl]oxy}phosphonic acid

Traditional Name

geranylgeranyl diphosphate

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O

InChI Identifier

InChI=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 Key

OINNEUNVOZHBOX-QIRCYJPOSA-N

Chemical Taxonomy

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.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Acyclic 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 Framework

Aliphatic acyclic compounds

External Descriptors

geranylgeranyl diphosphate (CHEBI:48861 )
Acyclic diterpenoids (C00353 )
Linear diterpenes (C00353 )
Acyclic diterpenoids (LMPR0104010001 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.0046 g/L	ALOGPS
logP	3.57	ALOGPS
logP	5.28	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	113.29 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	120.53 m³·mol⁻¹	ChemAxon
Polarizability	47.82 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	0	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-00p1-8966200000-998d239f267a150b43ed	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 11V, negative	splash10-0002-0000900000-e7c9a733fcef12117c3d	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 15V, negative	splash10-0002-1000900000-51a8d5ce498d65e79691	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 19V, negative	splash10-004j-9000800000-4beea4fd2eb20ffa4ad9	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 26V, negative	splash10-004i-9000000000-4db0a53ff36e5e4b9935	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 31V, negative	splash10-004i-9000000000-cf199ce4e78be9534fb7	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 37V, negative	splash10-004i-9000000000-7867ab9db012f87e43c8	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 44V, negative	splash10-004i-9000000000-be17e3662a7647d871aa	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 52V, negative	splash10-004i-9000000000-1f4ff46767d08f6c4824	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 60V, negative	splash10-004i-9000000000-d99bb72e9136380d8698	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 72V, negative	splash10-004i-9000000000-d99bb72e9136380d8698	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-001i-0300900000-fecb2380f7e0ec863abc	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-0a4i-0900000000-dc954ce23ecf1a263189	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-0a4i-0900000000-8ab5606bd668c2535e4d	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0fk9-1394600000-c6d91e9bfb5eeb46563e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-3592000000-c8aa1820057f6139aad8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00xs-5690000000-5fa48d769648b6310c2d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0400900000-86700e111b6b2b0215c0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-057i-7900100000-c5c0d2a89df8d138cebb	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-0ec0eed3d4d479d9c002	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-1214900000-f698165f4dfead7c9d55	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-1189100000-6a265357a808fdf96bf8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-05s1-3910000000-59003e6f3766239ee38a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0000900000-582b037b919c4a7e747f	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum