MiMeDB: Showing metabocard for Isopentenyl pyrophosphate (MMDBc0029626)

Microbial

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:35:09 UTC

Update Date

2024-10-13 06:42:09 UTC

Metabolite ID

MMDBc0029626

Metabolite Identification

Common Name

Isopentenyl pyrophosphate

Description

Isopentenyl pyrophosphate, IPP or isopentenyl diphosphate, is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. IPP is formed from Mevalonate-5-pyrophosphate, in a reaction catalyzed by the enzyme mevalonate-5-pyrophosphate decarboxylase. (wikipedia)

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309042000212D          

 14 13  0  0  0  0            999 V2000
   16.3566   -5.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9279   -5.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6422   -4.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2134   -4.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0711   -4.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7856   -5.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4990   -5.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7845   -4.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0699   -5.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7844   -4.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0711   -4.8377    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.0712   -5.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6422   -4.8377    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.6422   -5.6629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13  3  2  0  0  0  0
 11  5  2  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 11  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 13  2  1  0  0  0  0
 13  1  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029626

> <DATABASE_NAME>
MIME

> <SMILES>
CC(=C)CCOP(O)(=O)OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)

> <INCHI_KEY>
NUHSROFQTUXZQQ-UHFFFAOYSA-N

> <FORMULA>
C5H12O7P2

> <MOLECULAR_WEIGHT>
246.0921

> <EXACT_MASS>
246.005825762

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
19.011958475186823

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
({hydroxy[(3-methylbut-3-en-1-yl)oxy]phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
0.04

> <JCHEM_LOGP>
0.19933072100000007

> <ALOGPS_LOGS>
-1.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.219951501702814

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7784542453586973

> <JCHEM_POLAR_SURFACE_AREA>
113.29

> <JCHEM_REFRACTIVITY>
48.2068

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.69e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
isopentenyl-diphosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0      30.532  -9.801   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      27.865  -9.801   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      29.199  -7.491   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      26.532  -9.030   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      31.866  -7.490   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      33.200  -9.801   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      25.198  -9.801   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      23.864  -9.030   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      22.530  -9.801   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      23.864  -7.491   0.000  0.00  0.00           C+0
HETATM   11  P   UNK     0      31.866  -9.030   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0      31.866 -10.570   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0      29.199  -9.030   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0      29.199 -10.571   0.000  0.00  0.00           O+0
CONECT    1   11   13                                                       
CONECT    2    4   13                                                       
CONECT    3   13                                                            
CONECT    4    2    7                                                       
CONECT    5   11                                                            
CONECT    6   11                                                            
CONECT    7    4    8                                                       
CONECT    8   10    7    9                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    5   12    6    1                                             
CONECT   12   11                                                            
CONECT   13    3   14    2    1                                             
CONECT   14   13                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

Synonyms

Value	Source
3-Methyl-3-butenyl pyrophosphate	ChEBI
3-Methylbut-3-en-1-yl trihydrogen diphosphate	ChEBI
3-Methylbut-3-enyl phosphono hydrogen phosphate	ChEBI
delta-3-Isopentenyl pyrophosphate	ChEBI
delta3-Isopentenyl diphosphate	ChEBI
delta3-Methyl-3-butenyl diphosphate	ChEBI
Diphosphoric acid mono(3-methyl-3-butenyl) ester	ChEBI
IPP	ChEBI
IPPP	ChEBI
mono(3-Methyl-3-butenyl) diphosphate	ChEBI
3-Methyl-3-butenyl pyrophosphoric acid	Generator
3-Methylbut-3-en-1-yl trihydrogen diphosphoric acid	Generator
3-Methylbut-3-enyl phosphono hydrogen phosphoric acid	Generator
delta-3-Isopentenyl pyrophosphoric acid	Generator
Δ-3-isopentenyl pyrophosphate	Generator
Δ-3-isopentenyl pyrophosphoric acid	Generator
delta3-Isopentenyl diphosphoric acid	Generator
Δ3-isopentenyl diphosphate	Generator
Δ3-isopentenyl diphosphoric acid	Generator
delta3-Methyl-3-butenyl diphosphoric acid	Generator
Δ3-methyl-3-butenyl diphosphate	Generator
Δ3-methyl-3-butenyl diphosphoric acid	Generator
Diphosphate mono(3-methyl-3-butenyl) ester	Generator
mono(3-Methyl-3-butenyl) diphosphoric acid	Generator
Isopentenyl pyrophosphoric acid	Generator
delta(3)-Isopentenyl-PP	HMDB
delta-3-Isopentenyl pyrophosphat	HMDB
IPR	HMDB
Isopentenyl diphosphate	HMDB
Isopentenyl-PP	HMDB
Isopentenyl pyrophosphate, 4-(14)C-labeled	HMDB

Molecular Formula

C₅H₁₂O₇P₂

Average Mass

246.0921

Monoisotopic Mass

246.005825762

IUPAC Name

({hydroxy[(3-methylbut-3-en-1-yl)oxy]phosphoryl}oxy)phosphonic acid

Traditional Name

isopentenyl-diphosphate

CAS Registry Number

358-71-4

SMILES

CC(=C)CCOP(O)(=O)OP(O)(O)=O

InChI Identifier

InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)

InChI Key

NUHSROFQTUXZQQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Isoprenoid phosphates

Direct Parent

Isoprenoid phosphates

Alternative Parents

Substituents

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

prenol phosphate (CHEBI:16584 )
C5 isoprenoids (hemiterpenes) (C00129 )
C5 isoprenoids (hemiterpenes) (LMPR01010008 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	6.69 g/L	ALOGPS
logP	0.04	ALOGPS
logP	0.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.78	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	6	ChemAxon
Refractivity	48.21 m³·mol⁻¹	ChemAxon
Polarizability	19.01 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-002b-9600000000-930df1e6e1c7e4eed108	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 0V, negative	splash10-004i-0190000000-d2895fc0c10b183f43ee	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 1V, negative	splash10-056r-3980000000-627cfd435c85e88822b5	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 1V, negative	splash10-056r-3980000000-23fe88b159964959e66f	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 5V, negative	splash10-056r-2960000000-19354ef717c66764cd68	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 8V, negative	splash10-056r-9740000000-022ac5cb9631af8164ee	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 10V, negative	splash10-004i-9300000000-aee23682a2c1fa358b3b	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 11V, negative	splash10-004i-9100000000-6318f24bf41c952270c7	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 14V, negative	splash10-004i-9000000000-84d7ad80acc22ebadc08	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 16V, negative	splash10-004i-9000000000-52e623d1c0e3c5eec628	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 19V, negative	splash10-004i-9000000000-71f08ee06355626ebfd6	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 17V, negative	splash10-0a4i-0900000000-8b768e6e6fd82a9e52fc	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 17V, negative	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 17V, negative	splash10-00kr-0900000000-1e624fb025fa3835685b	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 17V, negative	splash10-014i-1900000000-2c64756ee3a8e3d9493c	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 1V, negative	splash10-0006-0090000000-5185751820ffb8d752a3	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 3V, negative	splash10-0006-0090000000-03743901b1bb8cf365e9	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 4V, negative	splash10-0006-2090000000-9e4213acb94b27ef7c83	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 5V, negative	splash10-004l-9080000000-43b0fb277b1db3562d57	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 7V, negative	splash10-004i-9010000000-863fed72efb5d1767ed2	2020-07-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014j-9670000000-fa3d42a8ff93d345cea7	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9200000000-78e51dcb039157700c59	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9100000000-a585b43371cb54efe2eb	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0490000000-391e90cfd97e6adcbb06	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9510000000-fed3169adff6f1179e01	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-5c099085cd907446a2fb	2015-09-15	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum

Biological Properties

Cellular Locations

Peroxisome

Biospecimen Locations

Feces
Spleen

Tissue Locations

Spleen

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192549	Geranylgeranyl pyrophosphate synthase	Enzyme	O95749	Homo sapiens
MMDBp0192550	Farnesyl pyrophosphate synthase	Enzyme	P14324	Homo sapiens
MMDBp0192628	Diphosphomevalonate decarboxylase	Enzyme	P53602	Homo sapiens
MMDBp0193095	Isopentenyl-diphosphate Delta-isomerase 2	Unknown	Q9BXS1	Homo sapiens
MMDBp0193096	Isopentenyl-diphosphate Delta-isomerase 1	Unknown	Q13907	Homo sapiens
MMDBp0196041	tRNA isopentenyltransferase 1 variant	Enzyme	Q53F11	Homo sapiens
MMDBp0196783	Decaprenyl-diphosphate synthase subunit 2	Unknown	Q86YH6
MMDBp0196789	Decaprenyl-diphosphate synthase subunit 1	Unknown	Q5T2R2

Human Pathways

Pathways

Name	SMPDB/PathBank
Mevalonate Pathway

Microbial Pathways

Pathways

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank
Secondary Metabolites: Isoprenoid Biosynthesis (Nonmevalonate Pathway)
Secondary Metabolites: Methylerythritol Phosphate and Polyisoprenoid Biosynthesis
Secondary Metabolites: Ubiquinol Biosynthesis
Secondary Metabolites: Ubiquinol Biosynthesis 2

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018657	1-Hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate	Isopentenyl pyrophosphate	4-hydroxy-3-methylbut-2-enyl diphosphate reductase	Reduction	PathBank	31602464
MMDBr0018659	Dimethylallylpyrophosphate	Geranyl-PP	Farnesyl diphosphate synthase	Synthesis	PathBank	31602464
MMDBr0018660	Geranyl-PP	Farnesyl pyrophosphate	Farnesyl diphosphate synthase	Synthesis	PathBank	31602464
MMDBr0018661	Farnesyl pyrophosphate	di-trans,octa-cis-undecaprenyl diphosphate	Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)	Synthesis	PathBank	31602464
MMDBr0018662	Farnesyl pyrophosphate	Octaprenyl diphosphate	Octaprenyl diphosphate synthase	Synthesis	PathBank	31602464
MMDBr0019905	5-Diphosphomevalonic acid	Isopentenyl pyrophosphate	Diphosphomevalonate decarboxylase	Carboxylation	PathBank	31602464
MMDBr0019906	Dimethylallylpyrophosphate	Geranyl-PP	Farnesyl pyrophosphate synthase	Synthesis	PathBank	31602464
MMDBr0019907	Geranyl-PP	Farnesyl pyrophosphate	Farnesyl pyrophosphate synthase	Synthesis	PathBank	31602464
MMDBr0019939	Farnesyl pyrophosphate	2-trans,6-trans,10-trans-Geranylgeranyl diphosphate	Unknown Protein		PathBank	31602464
MMDBr0019940	Farnesyl pyrophosphate	all-trans-Hexaprenyl diphosphate	Hexaprenyl pyrophosphate synthase, mitochondrial	Synthesis	PathBank	31602464
MMDBr0019941	Farnesyl pyrophosphate	di-trans, poly-cis-polyprenyl diphosphate (C80)	Dehydrodolichyl diphosphate synthase complex subunit RER2	Synthesis	PathBank	31602464
MMDBr0024782	di-mu-Sulfido-diiron(2+)	di-mu-Sulfido-diiron(1+)	4-hydroxy-3-methylbut-2-enyl diphosphate reductase	Reduction	RHEA	34755880
MMDBr0025435	Isopentenyl pyrophosphate	diphosphate	Decaprenyl diphosphate synthase	Synthesis	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	13	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; American dog tick ; Chicken	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	420	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool; Catfish	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	278	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; American dog tick ; Chicken	Unknown; Metabolic reconstruction
Bacteria	Actinobacteria	18	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	142	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human supragingival plaque; Human subgingival plaque; Human gastric fluid; Human urine	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	28	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool; Catfish	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	4	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	2		Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	2	Human feces	Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	50	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Cyanobacteria	5
Eukaryota/Fungi	Basidiomycota	5	Human feces
Archaea/Archaea	Euryarchaeota	26		Metabolic reconstruction
Eukaryota/Fungi	Mucoromycota	1
Archaea/Archaea	Crenarchaeota	15		Metabolic reconstruction
Viruses/Bamfordvirae	Nucleocytoviricota	5
Bacteria/Eubacteria	Aquificae	1
Bacteria/Eubacteria	Chlorobi	8
Bacteria/Eubacteria	Deinococcus-thermus	2
Archaea/Archaea	nah	1
Bacteria	nah	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Spleen	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001347

DrugBank ID

DB04714

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

DELTA3-ISOPENTENYL-PP

BiGG ID

33956

Wikipedia Link

Isopentenyl pyrophosphate

METLIN ID

6181

PubChem Compound

1195

PDB ID

Not Available

ChEBI ID

16584

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Daubenberger CA, Salomon M, Vecino W, Hubner B, Troll H, Rodriques R, Patarroyo ME, Pluschke G: Functional and structural similarity of V gamma 9V delta 2 T cells in humans and Aotus monkeys, a primate infection model for Plasmodium falciparum malaria. J Immunol. 2001 Dec 1;167(11):6421-30. doi: 10.4049/jimmunol.167.11.6421. [PubMed:11714808 ]

Showing metabocard for Isopentenyl pyrophosphate (MMDBc0029626)

MOL for #<Metabolite:0x00007f4a53eb45c0>

3D MOL for #<Metabolite:0x00007f4a53eb45c0>

3D SDF for #<Metabolite:0x00007f4a53eb45c0>

3D-SDF for #<Metabolite:0x00007f4a53eb45c0>

PDB for #<Metabolite:0x00007f4a53eb45c0>

3D PDB for #<Metabolite:0x00007f4a53eb45c0>

SMILES for #<Metabolite:0x00007f4a53eb45c0>

INCHI for #<Metabolite:0x00007f4a53eb45c0>

Structure for #<Metabolite:0x00007f4a53eb45c0>

3D Structure for #<Metabolite:0x00007f4a53eb45c0>