MiMeDB: Showing metabocard for Quinolinic acid (MMDBc0000507)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:39:20 UTC

Update Date

2024-10-09 19:22:51 UTC

Metabolite ID

MMDBc0000507

Metabolite Identification

Common Name

Quinolinic acid

Description

Quinolinic acid, also known as quinolinate, belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. It is also classified as a pyridine-2,3-dicarboxylic acid, which is a dicarboxylic acid with a pyridine backbone. Quinolinic acid is a colorless solid. In plants, it is the biosynthetic precursor to nicotine. Quinolinic acid is found in all organisms, from microbes to plants to animals. Quinolinic acid can be biosynthesized via aspartic acid in plants. Oxidation of aspartate by the enzyme aspartate oxidase gives iminosuccinate, containing the two carboxylic acid groups that are found in quinolinic acid. Condensation of iminosuccinate with glyceraldehyde-3-phosphate, mediated by quinolinate synthase, affords quinolinic acid Quinolinic acid is also a downstream product of the kynurenine pathway, which metabolizes the amino acid tryptophan ((PMID: 22678511 ). The kynurenine/tryptophan degradation pathway is important for its production of the coenzyme nicotinamide adenine dinucleotide (NAD+) and produces several neuroactive intermediates including quinolinic acid, kynurenine (KYN), kynurenic acid (KYNA), 3-hydroxykynurenine (3-HK), and 3-hydroxyanthranilic acid (3-HANA). In animals quinolinic acid acts as an NMDA receptor agonist and has a possible role in neurodegenerative disorders (PMID: 22678511 ). It also acts as a neurotoxin, gliotoxin, proinflammatory mediator, and pro-oxidant molecule (PMID: 22248144 ). Quinolinic acid can act as an endogenous brain excitotoxin when released by activated macrophages (PMID: 15013955 ). Within the brain, quinolinic acid is only produced by activated microglia and macrophages. Quinolinic acid is unable to pass through the blood-brain barrier (BBB) and must be produced within the brain by microglial cells or macrophages that have passed the BBB (PMID: 22248144 ). While quinolinic acid cannot pass through the BBB, kynurenic acid, tryptophan and 3-hydroxykynurenine can and can subsequently act as precursors to the production of quinolinic acid in the brain (PMID: 22248144 ). Quinolinic acid has potent neurotoxic effects. Studies have demonstrated that quinolinic acid may be involved in many psychiatric disorders and neurodegenerative diseases in the brain including ALS, Alzheimer‚Äôs disease, brain ischemia, Parkinson‚Äôs disease, Huntington‚Äôs disease and AIDS-dementia. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS. Indeed, levels of quinolinic acid in the CSF of AIDS patients suffering from AIDS-dementia can be up to twenty times higher than normal (PMID: 10936623 ). Quinolinic acid levels are increased in the brains of children infected with a range of bacterial infections of the central nervous system (CNS), of poliovirus patients, and of Lyme disease with CNS involvement patients. In addition, raised quinolinic acid levels have been found in traumatic CNS injury patients, patients suffering from cognitive decline with ageing, hyperammonaemia patients, hypoglycaemia patients, and systemic lupus erythematosus patients. Quinolinic acid has also been detected, but not quantified in, several different foods, such as Ceylon cinnamons, pitanga, Oregon yampahs, red bell peppers, and durians. This could make quinolinic acid a potential biomarker for the consumption of these foods.

Structure

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

HEADER    PROTEIN                                 27-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-APR-20         0                                  
HETATM    1  O   UNK     0       2.334  -0.192   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.000  -0.963   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.000  -2.503   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.333  -0.192   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.667  -0.962   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.001  -0.192   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.001   1.347   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -1.667   2.118   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -0.333   1.347   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.000   2.118   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.334   1.348   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       1.000   3.658   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END

Synonyms

Value	Source
2,3-Pyridinedicarboxylic acid	ChEBI
Pyridine-2,3-dicarboxylate	ChEBI
2,3-Pyridinedicarboxylate	Generator
Quinolinate	Generator
Pyridine-2,3-dicarboxylic acid	Generator
3,4-Pyridinedicarboxylic acid	HMDB
Pyridin-2,3-dicarbonsaeure	HMDB
Pyridine-2,3-carboxylate	HMDB
Quinolinic acid	HMDB

Molecular Formula

C₇H₅NO₄

Average Mass

167.1189

Monoisotopic Mass

167.021857653

IUPAC Name

pyridine-2,3-dicarboxylic acid

Traditional Name

quinolinic acid

CAS Registry Number

Not Available

SMILES

OC(=O)C1=CC=CN=C1C(O)=O

InChI Identifier

InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)

InChI Key

GJAWHXHKYYXBSV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Pyridinecarboxylic acids and derivatives

Direct Parent

Pyridinecarboxylic acids

Alternative Parents

Substituents

Pyridine carboxylic acid
Dicarboxylic acid or derivatives
Heteroaromatic compound
Azacycle
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

pyridinedicarboxylic acid (CHEBI:16675 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.07 g/L	ALOGPS
logP	0.15	ALOGPS
logP	-1	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	0.31	ChemAxon
pKa (Strongest Basic)	5.74	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	87.49 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	38.04 m³·mol⁻¹	ChemAxon
Polarizability	14.34 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)	splash10-0002-0910000000-a8eacf1916c539d286b6	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0002-0910000000-64e9e4b901dd69dc90c5	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)	splash10-006t-7910000000-0bb1a7ce8a5907feae21	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-05i0-9500000000-555e92ebc410fc53e92f	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0100-5900000000-3d726d602fec21fd8beb	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-0910000000-a8eacf1916c539d286b6	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-0910000000-64e9e4b901dd69dc90c5	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-006t-7910000000-0bb1a7ce8a5907feae21	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-1960000000-8197ee161fa149deabdd	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-0920000000-40d676712c981904799f	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0g4j-4900000000-40b629f8c2ff96d454dc	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00di-9680000000-e45ac969fff3f654bb49	2017-10-06	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
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0002-0900000000-4a6d37bd8578b50cf677	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-004i-9100000000-45dc448cbedc6465ad63	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-004i-9000000000-2aa35085995bdc1801da	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-014i-0900000000-d0eb03bdfeea6084e0db	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-0100-5900000000-7d59ce683134a6f33e8d	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-00or-9700000000-c13d2a2f6361459932db	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-016r-8900000000-d7f12324cf02b0023aed	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-00or-9600000000-d51ee74ca89d43da53b4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive	splash10-0udi-1900000000-a44a9d75afd871a62687	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive	splash10-0a4r-4900000000-1b71b709786880019164	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive	splash10-0a4i-5900000000-56f78a7bdb3c091573a7	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive	splash10-0a6r-9500000000-8140904c5eb795e92371	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive	splash10-004i-9100000000-1175e50dbd23fc2a9922	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-00di-0900000000-9a963e41421edb041561	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-00di-0900000000-4c0c9b98c2ce00d0d282	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-014i-0900000000-d0eb03bdfeea6084e0db	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0100-5900000000-4af865513d09a8bab44f	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-00or-9700000000-c13d2a2f6361459932db	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-016r-8900000000-ff25a1c9823ecb018549	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0900000000-f9e1437d75c6f5b25d88	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-1900000000-ad80f96e7d85d594f6cb	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0uk9-9300000000-57792ffddc2cccbd77b9	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00xr-0900000000-343bdc632cd1916d92c9	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00fr-4900000000-c83c2058ae8923828aa6	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00os-9100000000-840c225c8204e80727f2	2015-05-27	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)		2016-09-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Brain
Cerebrospinal Fluid (CSF)
Feces
Neuron
Placenta
Prostate
Spleen
Urine

Tissue Locations

Brain
Neuron
Placenta
Prostate
Spleen

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192006	Nicotinate-nucleotide pyrophosphorylase [carboxylating]	Unknown	Q15274	Homo sapiens
MMDBp0193603	Kynurenine 3-monooxygenase	Unknown	O15229	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0002048	2-Amino-3-carboxymuconic acid semialdehyde	Quinolinic acid	Not Available	VMH; KEGG	30371894
MMDBr0007508	Phosphoribosyl pyrophosphate	Nicotinic acid mononucleotide	Not Available	VMH; KEGG	30371894
MMDBr0007560	Dihydroxyacetone phosphate	Quinolinic acid	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Aids	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	9657528
Amyotrophic lateral sclerosis		Association	Human Cerebrospinal Fluid (CSF)	HMDB	19921535
Anemia		Association	Human Cerebrospinal Fluid (CSF)	HMDB	12964115
Convulsion		Association	Human Cerebrospinal Fluid (CSF)	HMDB	12964115
Hepatic coma	Decreased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	2430055
Hydrocephalus		Association	Human Cerebrospinal Fluid (CSF)	HMDB	8583213
Intraventricular hemorrhage	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	8583213
Malaria		Association	Human Cerebrospinal Fluid (CSF)	HMDB	12964115
Malaria	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	11865422
Traumatic brain injury	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	15206793
Tuberculous meningitis		Association	Human Cerebrospinal Fluid (CSF)	HMDB	12964115
Uremia	Increased	Association	Human Blood	HMDB	12675874
Eosinophilic esophagitis	Slight Increase	Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	273	Human feces; Human stool; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human feces; pleural fluid plaque; bal; Dog	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Firmicutes	343	Human ; Human mucosa; Human feces; Human subgingival plaque; Human saliva; Human pleural fluid plaque; Pig ; Human urine; Cattle ; Human stool; Catfish	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	121	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque	Metabolic reconstruction
Bacteria	Actinobacteria	97	Human feces; Human ; Human supragingival plaque; Human mucosa; Cattle	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	17	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	17		Metabolic reconstruction
Bacteria	nah	1
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Unknown
Bacteria	Acidobacteria	1
Bacteria	Aquificae	2
Bacteria	Chlorobi	5
Bacteria	Cyanobacteria	13	Human
Bacteria	Chloroflexi	4
Bacteria	Spirochaetes	2
Archaea/Archaea	Crenarchaeota	2		Metabolic reconstruction
Bacteria	Thermotogae	4
Bacteria	Deinococcus-thermus	2
Bacteria	Nitrospirae	1

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Haliotis	FooDB	31437929
Animal	Strombidae	FooDB	31437929
Animal	Clupea harengus harengus	FooDB	31437929
Animal	Undaria pinnatifida	FooDB	31437929
Animal	Peprilus triacanthus	FooDB	31437929
Animal	Rhodophyta	FooDB	31437929
Animal	Myoxocephalus	FooDB	31437929
Animal	Eucheuma	FooDB	31437929
Animal	Saccharina japonica	FooDB	31437929
Animal	Spirulina	FooDB	31437929
Animal	Lota lota	FooDB	31437929
Animal	Porphyra umbilicalis	FooDB	31437929
Animal	Chondrus crispus	FooDB	31437929
Animal	Laminaria	FooDB	31437929
Plant	Mammea americana	FooDB	31437929
Plant	Gossypium	FooDB	31437929
Plant	Brassica alboglabra	FooDB	31437929
Plant	Apium graveolens var. dulce	FooDB	31437929
Plant	Beta vulgaris	FooDB	31437929
Plant	Annona squamosa	FooDB	31437929
Plant	Xanthosoma sagittifolium	FooDB	31437929
Plant	Basella alba	FooDB	31437929
Plant	Vitis	FooDB	31437929
Plant	Capsicum baccatum var. baccatum	FooDB	31437929
Plant		FooDB	31437929
Plant	Citrus latifolia	FooDB	31437929
Plant	Byrsonima crassifolia	FooDB	31437929
Plant	Capsicum pubescens	FooDB	31437929
Plant	Carya illinoinensis	FooDB	31437929
Plant	Crateva religiosa	FooDB	31437929
Plant	Vitis aestivalis	FooDB	31437929
Plant	Cucumis sativus	FooDB	31437929
Plant	Eugenia javanica	FooDB	31437929
Plant	Mentha arvensis	FooDB	31437929
Plant		FooDB	31437929
Plant	Vaccinium stamineum	FooDB	31437929
Plant	Brassica rapa var. chinensis	FooDB	31437929
Plant	Cinnamomum aromaticum	FooDB	31437929
Plant	Ribes rubrum	FooDB	31437929
Plant	Psophocarpus tetragonolobus	FooDB	31437929
Plant	Portulaca oleracea	FooDB	31437929
Plant	Ipomoea batatas	FooDB	31437929
Plant	Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant	Chenopodium album	FooDB	31437929
Plant	Cucurbita maxima	FooDB	31437929
Plant	Pastinaca sativa	FooDB	31437929
Plant	Allium ampeloprasum	FooDB	31437929
Plant	Grataegosorbus mitschurinii	FooDB	31437929
Plant	Sechium edule	FooDB	31437929
Plant	Brassica oleracea	FooDB	31437929
Plant	Diospyros virginiana	FooDB	31437929
Plant	Origanum x majoricum	FooDB	31437929
Plant	Lactuca sativa l. var. longifolia	FooDB	31437929
Plant	Rumex	FooDB	31437929
Plant	Rubus x loganobaccus	FooDB	31437929
Plant	Tragopogon porrifolius	FooDB	31437929
Plant	Allium ascalonicum	FooDB	31437929
Plant	Citrullus lanatus var. fistulosus	FooDB	31437929
Plant	Taraxacum officinale	FooDB	31437929
Plant	Rubus chamaemorus	FooDB	31437929
Plant	Amelanchier alnifolia	FooDB	31437929
Plant	Eugenia uniflora	FooDB	31437929
Plant	Curcuma longa	FooDB	31437929
Plant	Annona reticulata	FooDB	31437929
Plant	Sesbania bispinosa	FooDB	31437929
Plant	Elettaria cardamomum	FooDB	31437929
Plant	Ananas comosus	FooDB	31437929
Plant	Persea americana	FooDB	31437929
Plant	Ribes x nidigrolaria	FooDB	31437929
Plant	Garcinia mangostana	FooDB	31437929
Plant	Lathyrus sativus	FooDB	31437929
Plant	Dioscorea pentaphylla	FooDB	31437929
Plant	Allium tuberosum	FooDB	31437929
Plant	Brassica oleracea var. botrytis	FooDB	31437929
Plant	Chenopodium quinoa	FooDB	31437929
Plant	Cichorium intybus	FooDB	31437929
Plant	Corchorus olitorius	FooDB	31437929
Plant	Cucumis melo	FooDB	31437929
Plant	Juglans nigra	FooDB	31437929
Plant	Gaylussacia baccata	FooDB	31437929
Plant	Petasites japonicus	FooDB	31437929
Plant	Prunus tomentosa	FooDB	31437929
Plant	Maranta arundinacea	FooDB	31437929
Plant	Mentha x piperita	FooDB	31437929
Plant	Cinnamomum verum	FooDB	31437929
Plant	Matteuccia struthiopteris	FooDB	31437929
Plant	Glycine max	FooDB	31437929
Plant	Cucurbita moschata	FooDB	31437929
Plant	Vaccinium myrtilloides	FooDB	31437929
Plant	Ocimum basilicum	FooDB	31437929
Plant	Macadamia	FooDB	31437929
Plant	Tilia	FooDB	31437929
Plant	Nelumbo	FooDB	31437929
Plant	Papaver	FooDB	31437929
Plant	Rosa	FooDB	31437929
Plant	Brassica oleracea var. conica	FooDB	31437929
Plant	Citrus limon	FooDB	31437929
Plant	Apium graveolens var. rapaceum	FooDB	31437929
Plant	Capsicum annuum var. annuum	FooDB	31437929
Plant	Lippia graveolens	FooDB	31437929
Plant	Annona cherimola	FooDB	31437929
Plant	Sesamum orientale	FooDB	31437929
Plant	Brassica rapa var. pekinensis	FooDB	31437929
Plant	Brassica rapa	FooDB	31437929
Plant	Prunus	FooDB	31437929
Plant	Capparis spinosa	FooDB	31437929
Plant	Vaccinium deliciosum	FooDB	31437929
Plant	Citrus sinensis	FooDB	31437929
Plant	Lens culinaris	FooDB	31437929
Plant	Phaseolus lunatus	FooDB	31437929
Plant	Artocarpus heterophyllus	FooDB	31437929
Plant	Prunus virginiana	FooDB	31437929
Plant	Musa acuminata	FooDB	31437929
Plant	Macadamia tetraphylla	FooDB	31437929
Plant	Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant	Citrullus lanatus	FooDB	31437929
Plant	Lagenaria siceraria	FooDB	31437929
Plant	Linum usitatissimum	FooDB	31437929
Plant	Carissa macrocarpa	FooDB	31437929
Plant	Phyllostachys edulis	FooDB	31437929
Plant	Satureja hortensis	FooDB	31437929
Plant	Averrhoa carambola	FooDB	31437929
Plant	Prunus domestica	FooDB	31437929
Plant	Prunus armeniaca	FooDB	31437929
Plant	Sorbus aucuparia	FooDB	31437929
Plant	Carum carvi	FooDB	31437929
Plant	Allium schoenoprasum	FooDB	31437929
Plant	Citrus reticulata	FooDB	31437929
Plant	Brassica oleracea var. costata	FooDB	31437929
Plant	Panax	FooDB	31437929
Plant	Nelumbo nucifera	FooDB	31437929
Plant	Brassica rapa var. rapa	FooDB	31437929
Plant	Bertholletia excelsa	FooDB	31437929
Plant	Anethum graveolens	FooDB	31437929
Plant	Cymbopogon citratus	FooDB	31437929
Plant	Ceratonia siliqua	FooDB	31437929
Plant	Coriandrum sativum	FooDB	31437929
Plant	Luffa aegyptiaca	FooDB	31437929
Plant	Vigna umbellata	FooDB	31437929
Plant	Rubus occidentalis	FooDB	31437929
Plant	Allium fistulosum	FooDB	31437929
Plant	Capsicum	FooDB	31437929
Plant	Carthamus tinctorius	FooDB	31437929
Plant	Cicer arietinum	FooDB	31437929
Plant	Lupinus	FooDB	31437929
Plant	Tilia cordata	FooDB	31437929
Plant	Vaccinium alaskaense	FooDB	31437929
Plant	Anacardium occidentale	FooDB	31437929
Plant	Durio zibethinus	FooDB	31437929
Plant	Prunus persica var. nucipersica	FooDB	31437929
Plant	Eriobotrya japonica	FooDB	31437929
Plant	Ribes glandulosum	FooDB	31437929
Plant	Brassica napus var. pabularia	FooDB	31437929
Plant	Verbena officinalis	FooDB	31437929
Plant	Diospyros kaki	FooDB	31437929
Plant	Oenothera biennis	FooDB	31437929
Plant	Camellia sinensis	FooDB	31437929
Plant	Vaccinium oxycoccos	FooDB	31437929
Plant	Virola surinamensis	FooDB	31437929
Plant	Rumex acetosa	FooDB	31437929
Plant	Theobroma cacao	FooDB	31437929
Plant	Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant	Aloysia triphylla	FooDB	31437929
Plant	Vaccinium parvifolium	FooDB	31437929
Plant	Capsicum chinense	FooDB	31437929
Plant	Pyrus pyrifolia	FooDB	31437929
Plant	Phaseolus vulgaris	FooDB	31437929
Plant	Brassica oleracea var. capitata	FooDB	31437929
Plant	Vaccinium reticulatum	FooDB	31437929
Plant	Solanum quitoense	FooDB	31437929
Plant	Daucus carota ssp. sativus	FooDB	31437929
Plant	Vaccinium myrtillus	FooDB	31437929
Plant	Theobroma grandiflorum	FooDB	31437929
Plant	Syzygium aromaticum	FooDB	31437929
Plant	Ginkgo biloba	FooDB	31437929
Plant	Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant	Vicia faba	FooDB	31437929
Plant		FooDB	31437929
Plant	Flammulina velutipes	FooDB	31437929
Plant	Satureja montana	FooDB	31437929
Plant	Perideridia oregana	FooDB	31437929
Plant	Citrus japonica	FooDB	31437929
Plant	Vaccinium arboreum	FooDB	31437929
Plant	Wasabia japonica	FooDB	31437929
Plant	Origanum onites	FooDB	31437929
Plant	Prunus avium	FooDB	31437929
Plant	Pouteria sapota	FooDB	31437929
Plant	Piper nigrum	FooDB	31437929
Plant	Viburnum edule	FooDB	31437929
Plant	Vitis vinifera	FooDB	31437929
Plant	Capsicum annuum	FooDB	31437929
Plant	Origanum vulgare	FooDB	31437929
Plant	Dioscorea	FooDB	31437929
Plant	Vaccinium uliginosum	FooDB	31437929
Plant	Momordica charantia	FooDB	31437929
Plant	Rubus ursinus x idaeus	FooDB	31437929
Plant	Castanea	FooDB	31437929
Plant	Brassica oleracea var. italica	FooDB	31437929
Plant	Cirsium	FooDB	31437929
Plant	Raphanus sativus var. sativus	FooDB	31437929
Plant	Pleurotus ostreatus	FooDB	31437929
Plant	Opuntia	FooDB	31437929
Plant	Colocasia esculenta	FooDB	31437929
Plant	Prunus persica var. persica	FooDB	31437929
Plant	Anthriscus cerefolium	FooDB	31437929
Plant	Solanum melongena	FooDB	31437929
Plant	Nuphar lutea	FooDB	31437929
Plant	Pachyrhizus erosus	FooDB	31437929
Plant	Lupinus albus	FooDB	31437929
Plant	Cichorium endivia	FooDB	31437929
Plant	Myristica fragrans	FooDB	31437929
Plant	Elaeis	FooDB	31437929
Plant	Dysphania ambrosioides	FooDB	31437929
Plant	Raphanus sativus var. niger	FooDB	31437929
Plant	Cinnamomum	FooDB	31437929
Plant	Photinia melanocarpa	FooDB	31437929
Plant	Ribes uva-crispa	FooDB	31437929
Plant	Feijoa sellowiana	FooDB	31437929
Plant	Apium graveolens	FooDB	31437929
Plant	Vaccinium	FooDB	31437929
Plant	Lablab purpureus	FooDB	31437929
Plant	Rheum rhabarbarum	FooDB	31437929
Plant	Crocus sativus	FooDB	31437929
Plant	Syzygium jambos	FooDB	31437929
Plant	Salix pulchra	FooDB	31437929
Plant	Citrus maxima	FooDB	31437929
Plant	Fagus	FooDB	31437929
Plant	Salvia officinalis	FooDB	31437929
Plant	Castanea sativa	FooDB	31437929
Plant	Cydonia oblonga	FooDB	31437929
Plant	Opuntia cochenillifera	FooDB	31437929
Plant	Annona muricata	FooDB	31437929
Plant	Vaccinium ovatum	FooDB	31437929
Plant	Thymus pulegioides	FooDB	31437929
Plant	Phaseolus coccineus	FooDB	31437929
Plant	Cucurbita	FooDB	31437929
Plant	Mespilus germanica	FooDB	31437929
Plant	Cocos nucifera	FooDB	31437929
Plant	Tamarindus indica	FooDB	31437929
Plant	Brassica rapa var. perviridis	FooDB	31437929
Plant	Mentha aquatica	FooDB	31437929
Plant	Salvia elegans	FooDB	31437929
Plant	Mentha	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Sagittaria latifolia	FooDB	31437929
Plant	Sambucus	FooDB	31437929
Plant	Syzygium cumini	FooDB	31437929
Plant	Psidium guajava	FooDB	31437929
Plant	Typha angustifolia	FooDB	31437929
Plant	Pinus	FooDB	31437929
Plant	Tilia tomentosa	FooDB	31437929
Plant	Empetrum nigrum	FooDB	31437929
Plant	Olea europaea	FooDB	31437929
Plant	Myrica rubra	FooDB	31437929
Plant	Valerianella locusta	FooDB	31437929
Plant	Solanum tuberosum	FooDB	31437929
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant	Sisymbrium	FooDB	31437929
Plant	Vaccinium vitis-idaea	FooDB	31437929
Plant	Vanilla	FooDB	31437929
Plant	Daucus carota	FooDB	31437929
Plant	Carya	FooDB	31437929
Plant	Physalis philadelphica var. immaculata	FooDB	31437929
Plant	Borago officinalis	FooDB	31437929
Plant	Hyssopus officinalis	FooDB	31437929
Plant	Manihot esculenta	FooDB	31437929
Plant	Raphanus sativus	FooDB	31437929
Plant	Scorzonera hispanica	FooDB	31437929
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant	Angelica keiskei	FooDB	31437929
Plant	Vigna radiata	FooDB	31437929
Plant	Beta vulgaris ssp. cicla	FooDB	31437929
Plant	Prunus dulcis	FooDB	31437929
Plant	Ipomoea aquatica	FooDB	31437929
Plant	Rubus spectabilis	FooDB	31437929
Plant	Musa x paradisiaca	FooDB	31437929
Plant	Cuminum cyminum	FooDB	31437929
Plant	Allium sativum	FooDB	31437929
Plant	Sinapis alba	FooDB	31437929
Plant	Cantharellus cibarius	FooDB	31437929
Plant	Fragaria x ananassa	FooDB	31437929
Plant	Brassica ruvo	FooDB	31437929
Plant	Arachis hypogaea	FooDB	31437929
Plant	Pyrus communis	FooDB	31437929
Plant	Rubus idaeus	FooDB	31437929
Plant	Morus nigra	FooDB	31437929
Plant	Apium graveolens var. secalinum	FooDB	31437929
Plant	Pinus edulis	FooDB	31437929
Plant	Abelmoschus esculentus	FooDB	31437929
Plant	Solanum lycopersicum	FooDB	31437929
Plant	Opuntia macrorhiza	FooDB	31437929
Plant	Moringa oleifera	FooDB	31437929
Plant	Passiflora edulis	FooDB	31437929
Plant	Vigna angularis	FooDB	31437929
Plant	Manilkara zapota	FooDB	31437929
Plant	Allium cepa	FooDB	31437929
Plant	Cucurbita pepo var. clypeata	FooDB	31437929
Plant	Mentha spicata	FooDB	31437929
Plant	Malus	FooDB	31437929
Plant	Corylus	FooDB	31437929
Plant	Juglans	FooDB	31437929
Plant	Sambucus nigra	FooDB	31437929
Plant	Helianthus annuus	FooDB	31437929
Plant	Mangifera indica	FooDB	31437929
Plant		FooDB	31437929
Plant	Ribes nigrum	FooDB	31437929
Plant	Illicium verum	FooDB	31437929
Plant	Zingiber officinale	FooDB	31437929
Plant	Chamaemelum nobile	FooDB	31437929
Plant	Auricularia auricula-judae	FooDB	31437929
Plant	Petroselinum crispum	FooDB	31437929
Plant	Pisum sativum	FooDB	31437929
Plant	Laurus nobilis	FooDB	31437929
Plant	Attalea speciosa	FooDB	31437929
Plant	Juglans ailanthifolia	FooDB	31437929
Plant	Polygonum alpinum	FooDB	31437929
Plant	Melissa officinalis	FooDB	31437929
Plant	Hippophae rhamnoides	FooDB	31437929
Plant	Pediomelum esculentum	FooDB	31437929
Plant	Brassica juncea	FooDB	31437929
Plant	Auricularia polytricha	FooDB	31437929
Plant	Camellia oleifera	FooDB	31437929
Plant	Vaccinium corymbosum	FooDB	31437929
Plant	Chrysanthemum coronarium	FooDB	31437929
Plant	Eleocharis dulcis	FooDB	31437929
Plant	Spinacia oleracea	FooDB	31437929
Plant	Actinidia chinensis	FooDB	31437929
Plant	Carica papaya	FooDB	31437929
Plant	Thymus vulgaris	FooDB	31437929
Plant	Rubus arcticus	FooDB	31437929
Plant	Medicago sativa	FooDB	31437929
Plant	Pimenta dioica	FooDB	31437929
Plant	Rumex articus	FooDB	31437929
Plant	Vigna mungo	FooDB	31437929
Plant	Agaricus bisporus	FooDB	31437929
Plant	Cajanus cajan	FooDB	31437929
Plant	Hibiscus sabdariffa	FooDB	31437929
Plant	Canarium ovatum	FooDB	31437929
Plant	Benincasa hispida	FooDB	31437929
Plant	Ribes aureum var. villosum	FooDB	31437929
Plant	Origanum majorana	FooDB	31437929
Plant	Armoracia rusticana	FooDB	31437929
Plant	Prunus persica	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Brassica oleracea var. gemmifera	FooDB	31437929
Plant	Vaccinium macrocarpon	FooDB	31437929
Plant	Brassica oleracea var. gongylodes	FooDB	31437929
Plant	Eruca vesicaria ssp. sativa	FooDB	31437929
Plant	Foeniculum vulgare	FooDB	31437929
Plant	Arctium lappa	FooDB	31437929
Plant	Juglans cinerea	FooDB	31437929
Plant	Phoenix dactylifera	FooDB	31437929
Plant	Artocarpus altilis	FooDB	31437929
Plant	Metroxylon sagu	FooDB	31437929
Plant	Vitis rotundifolia	FooDB	31437929
Plant		FooDB	31437929
Plant	Prunus cerasus	FooDB	31437929
Plant	Vigna unguiculata	FooDB	31437929
Plant	Cynara scolymus	FooDB	31437929
Plant	Psidium cattleianum	FooDB	31437929
Plant	Cyathea	FooDB	31437929
Plant	Brosimum alicastrum	FooDB	31437929
Plant	Citrus x paradisi	FooDB	31437929
Plant	Rosmarinus officinalis	FooDB	31437929
Plant	Castanea mollissima	FooDB	31437929
Plant	Lentinus edodes	FooDB	31437929
Plant	Ficus carica	FooDB	31437929
Plant	Morus	FooDB	31437929
Plant	Vitis labrusca	FooDB	31437929
Plant	Lepidium sativum	FooDB	31437929
Plant	Beta vulgaris var. rubra	FooDB	31437929
Plant	Phytolacca americana	FooDB	31437929
Plant	Helianthus tuberosus	FooDB	31437929
Plant	Grifola frondosa	FooDB	31437929
Plant	Tetragonia tetragonioides	FooDB	31437929
Plant	Cucumis metuliferus	FooDB	31437929
Plant	Myrica	FooDB	31437929
Plant	Nephelium lappaceum	FooDB	31437929
Plant	Artemisia vulgaris	FooDB	31437929
Plant	Castanea crenata	FooDB	31437929
Plant	Litchi chinensis	FooDB	31437929
Plant	Quercus	FooDB	31437929
Plant	Corylus avellana	FooDB	31437929
Plant	Vaccinium angustifolium	FooDB	31437929
Plant	Malpighia emarginata	FooDB	31437929
Plant	Juglans regia	FooDB	31437929
Plant	Trigonella foenum-graecum	FooDB	31437929
Plant	Physalis	FooDB	31437929
Plant		FooDB	31437929
Plant	Thelesperma	FooDB	31437929
Plant	Brassica oleracea var. sabauda	FooDB	31437929
Plant	Chamerion angustifolium	FooDB	31437929
Plant	Brassica napus	FooDB	31437929
Plant	Vaccinium elliottii	FooDB	31437929
Plant	Asparagus officinalis	FooDB	31437929
Plant	Levisticum officinale	FooDB	31437929
Plant	Ziziphus zizyphus	FooDB	31437929
Plant	Dimocarpus longan	FooDB	31437929
Plant	Citrus aurantiifolia	FooDB	31437929
Plant	Salvia hispanica	FooDB	31437929
Plant	Matricaria recutita	FooDB	31437929
Plant	Cynara cardunculus	FooDB	31437929
Plant	Pangium edule	FooDB	31437929
Plant	Lactuca sativa	FooDB	31437929
Plant	Pimpinella anisum	FooDB	31437929
Plant	Artemisia dracunculus	FooDB	31437929
Plant	Vitellaria paradoxa	FooDB	31437929
Plant	Allium	FooDB	31437929
Plant	Brassica oleracea var. viridis	FooDB	31437929
Plant	Eragrostis tef	FooDB	31437929
Plant	Agave	FooDB	31437929
Plant	Pistacia vera	FooDB	31437929
Plant	Hedysarum alpinum	FooDB	31437929
Plant	Vigna aconitifolia	FooDB	31437929
Plant	Malus pumila	FooDB	31437929
Plant	Diospyros	FooDB	31437929
Plant	Amaranthus	FooDB	31437929
Plant	Punica granatum	FooDB	31437929

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 Cerebrospinal fluid (csf)	Detected and Quantified	3.78	0.88			uM	Adult (>18 years old)	Not Specified	AIDS	HMDB	9657528
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.06	0.01			uM	Adult (>18 years old)	Female	amyotrophic lateral sclerosis	HMDB	19921535
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.10		0	2.37	uM	Not Specified	Not Specified	Anemia	HMDB	12964115
Human Cerebrospinal fluid (csf)	Detected and Quantified	1.08	0.54			uM	Adult (>18 years old)	Not Specified	CNS Infections	HMDB	8583213
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.28	0.082			uM	Adult (>18 years old)	Not Specified	CNS Tumors	HMDB	8583213
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.03		0.01	0.13	uM	Not Specified	Not Specified	Convulsions	HMDB	12964115
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.04	0.01			uM	Adult (>18 years old)	Not Specified	Familial amyotrophic lateral sclerosis	HMDB	19921535
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.00015		0.00011	0.00019	uM	Adult (>18 years old)	Both	Hepatic coma (fatal)	HMDB	2430055
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.031	0.005			uM	Adult (>18 years old)	Not Specified	Hydrocephalus	HMDB	8583213
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.20		0.12	0.75	uM	Adult (>18 years old)	Not Specified	Intraventricular hemorrhage	HMDB	8583213
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.08		0.04	0.16	uM	Not Specified	Not Specified	Malaria	HMDB	12964115
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.09		0.07	0.11	uM	Not Specified	Not Specified	Malaria	HMDB	12964115
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.8		0.7	1.0	uM	Adult (>18 years old)	Not Specified	Malaria	HMDB	11865422
Human Blood	Detected and Quantified	0.0402				uM	Infant (0-1 year old)	Female	Nicotinamide Adenine Dinucleotide Deficiency	HMDB	28792876
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.05	0.01			uM	Adult (>18 years old)	Not Specified	Sporadic amyotrophic lateral sclerosis	HMDB	19921535
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.29		0.17	0.41	uM	Adult (>18 years old)	Both	Brain injury	HMDB	15206793
Human Cerebrospinal fluid (csf)	Detected and Quantified	6.10		0.37	100.9	uM	Not Specified	Not Specified	Tuberculous meningitis	HMDB	12964115
Human Blood	Detected and Quantified	8.982	5.389			uM	Adult (>18 years old)	Both	Uremia	HMDB	12675874
Human Urine	Detected and Quantified	44.8				umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	9657528
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.018		0.012	0.024	uM	Adult (>18 years old)	Both	Normal	HMDB	15206793
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.018	0.006			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	15206793
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.02	0.002			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	8583213
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.022	0.0021			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	9657528
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.023	0.002			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	1422788
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.07		0.05	0.10	uM	Adult (>18 years old)	Not Specified	Normal	HMDB	11865422
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.07		0.05	0.10	uM	Adult (>18 years old)	Both	Normal	HMDB	11865422
Human Blood	Detected and Quantified	0.47	0.047			uM	Adult (>18 years old)	Both	Normal	HMDB	15206793
Human Blood	Detected and Quantified	0.599	0.299			uM	Adult (>18 years old)	Both	Normal	HMDB	12675874
Human Urine	Detected and Quantified	0.67	1.34			umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	2026685
Human Urine	Detected and Quantified	10.5		4.8	26.2	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	13.2		0.1	54.5	umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	3.9		0.9	15.1	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	44.8		10.4	115.3	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	5.2		1.0	17.5	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	7.3		2.4	13.2	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	7.7		4.3	13.7	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	8.519	5.876			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	3.307	1.801			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	2.5	1.1			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Brain	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Spleen	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000232

DrugBank ID

DB01796

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Quinolinic_acid

METLIN ID

Not Available

PubChem Compound

1066

PDB ID

Not Available

ChEBI ID

16675

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Heyes MP, Saito K, Crowley JS, Davis LE, Demitrack MA, Der M, Dilling LA, Elia J, Kruesi MJ, Lackner A, et al.: Quinolinic acid and kynurenine pathway metabolism in inflammatory and non-inflammatory neurological disease. Brain. 1992 Oct;115 ( Pt 5):1249-73. doi: 10.1093/brain/115.5.1249. [PubMed:1422788 ]
Saito K, Markey SP, Heyes MP: Effects of immune activation on quinolinic acid and neuroactive kynurenines in the mouse. Neuroscience. 1992 Nov;51(1):25-39. doi: 10.1016/0306-4522(92)90467-g. [PubMed:1465184 ]
Heyes MP, Wyler AR, Devinsky O, Yergey JA, Markey SP, Nadi NS: Quinolinic acid concentrations in brain and cerebrospinal fluid of patients with intractable complex partial seizures. Epilepsia. 1990 Mar-Apr;31(2):172-7. doi: 10.1111/j.1528-1167.1990.tb06302.x. [PubMed:1690639 ]
Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38. doi: 10.1016/0378-4347(91)80571-s. [PubMed:2026685 ]
Moroni F, Lombardi G, Carla V, Lal S, Etienne P, Nair NP: Increase in the content of quinolinic acid in cerebrospinal fluid and frontal cortex of patients with hepatic failure. J Neurochem. 1986 Dec;47(6):1667-71. doi: 10.1111/j.1471-4159.1986.tb13071.x. [PubMed:2430055 ]
Heyes MP, Rubinow D, Lane C, Markey SP: Cerebrospinal fluid quinolinic acid concentrations are increased in acquired immune deficiency syndrome. Ann Neurol. 1989 Aug;26(2):275-7. doi: 10.1002/ana.410260215. [PubMed:2528321 ]
Ellison DW, Beal MF, Mazurek MF, Malloy JR, Bird ED, Martin JB: Amino acid neurotransmitter abnormalities in Huntington's disease and the quinolinic acid animal model of Huntington's disease. Brain. 1987 Dec;110 ( Pt 6):1657-73. doi: 10.1093/brain/110.6.1657. [PubMed:2892568 ]
Wolfensberger M, Amsler U, Cuenod M, Foster AC, Whetsell WO Jr, Schwarcz R: Identification of quinolinic acid in rat and human brain tissue. Neurosci Lett. 1983 Nov 11;41(3):247-52. doi: 10.1016/0304-3940(83)90458-5. [PubMed:6664615 ]
Power C, Johnson RT: HIV-1 associated dementia: clinical features and pathogenesis. Can J Neurol Sci. 1995 May;22(2):92-100. doi: 10.1017/s0317167100040154. [PubMed:7627922 ]
Basile AS, Saito K, al-Mardini H, Record CO, Hughes RD, Harrison P, Williams R, Li Y, Heyes MP: The relationship between plasma and brain quinolinic acid levels and the severity of hepatic encephalopathy. Gastroenterology. 1995 Mar;108(3):818-23. doi: 10.1016/0016-5085(95)90456-5. [PubMed:7875484 ]
Guneral F, Bachmann C: Age-related reference values for urinary organic acids in a healthy Turkish pediatric population. Clin Chem. 1994 Jun;40(6):862-6. [PubMed:8087979 ]
Heyes MP, Saito K, Milstien S, Schiff SJ: Quinolinic acid in tumors, hemorrhage and bacterial infections of the central nervous system in children. J Neurol Sci. 1995 Nov;133(1-2):112-8. doi: 10.1016/0022-510x(95)00164-w. [PubMed:8583213 ]
Heyes MP, Achim CL, Wiley CA, Major EO, Saito K, Markey SP: Human microglia convert l-tryptophan into the neurotoxin quinolinic acid. Biochem J. 1996 Dec 1;320 ( Pt 2):595-7. doi: 10.1042/bj3200595. [PubMed:8973572 ]
Heyes MP, Saito K, Lackner A, Wiley CA, Achim CL, Markey SP: Sources of the neurotoxin quinolinic acid in the brain of HIV-1-infected patients and retrovirus-infected macaques. FASEB J. 1998 Jul;12(10):881-96. doi: 10.1096/fasebj.12.10.881. [PubMed:9657528 ]
Stone TW: Endogenous neurotoxins from tryptophan. Toxicon. 2001 Jan;39(1):61-73. doi: 10.1016/s0041-0101(00)00156-2. [PubMed:10936623 ]
Heyes MP, Ellis RJ, Ryan L, Childers ME, Grant I, Wolfson T, Archibald S, Jernigan TL: Elevated cerebrospinal fluid quinolinic acid levels are associated with region-specific cerebral volume loss in HIV infection. Brain. 2001 May;124(Pt 5):1033-42. doi: 10.1093/brain/124.5.1033. [PubMed:11335705 ]
Medana IM, Hien TT, Day NP, Phu NH, Mai NT, Chu'ong LV, Chau TT, Taylor A, Salahifar H, Stocker R, Smythe G, Turner GD, Farrar J, White NJ, Hunt NH: The clinical significance of cerebrospinal fluid levels of kynurenine pathway metabolites and lactate in severe malaria. J Infect Dis. 2002 Mar 1;185(5):650-6. doi: 10.1086/339009. Epub 2002 Feb 14. [PubMed:11865422 ]
Kurup RK, Kurup PA: Central role of hypothalamic digoxin in conscious perception, neuroimmunoendocrine integration, and coordination of cellular function: relation to hemispheric dominance. Int J Neurosci. 2002 Jun;112(6):705-39. doi: 10.1080/00207450290025734. [PubMed:12325312 ]
Kurup RK, Kurup PA: Hypothalamic digoxin, hemispheric chemical dominance, and Alzheimer's disease. Int J Neurosci. 2003 Mar;113(3):361-81. doi: 10.1080/00207450390162146. [PubMed:12803139 ]
Medana IM, Day NP, Salahifar-Sabet H, Stocker R, Smythe G, Bwanaisa L, Njobvu A, Kayira K, Turner GD, Taylor TE, Hunt NH: Metabolites of the kynurenine pathway of tryptophan metabolism in the cerebrospinal fluid of Malawian children with malaria. J Infect Dis. 2003 Sep 15;188(6):844-9. doi: 10.1086/377583. Epub 2003 Sep 9. [PubMed:12964115 ]
Valle M, Price RW, Nilsson A, Heyes M, Verotta D: CSF quinolinic acid levels are determined by local HIV infection: cross-sectional analysis and modelling of dynamics following antiretroviral therapy. Brain. 2004 May;127(Pt 5):1047-60. doi: 10.1093/brain/awh130. Epub 2004 Mar 10. [PubMed:15013955 ]
Smythe GA, Poljak A, Bustamante S, Braga O, Maxwell A, Grant R, Sachdev P: ECNI GC-MS analysis of picolinic and quinolinic acids and their amides in human plasma, CSF, and brain tissue. Adv Exp Med Biol. 2003;527:705-12. doi: 10.1007/978-1-4615-0135-0_83. [PubMed:15206793 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Guillemin GJ: Quinolinic acid, the inescapable neurotoxin. FEBS J. 2012 Apr;279(8):1356-65. doi: 10.1111/j.1742-4658.2012.08485.x. Epub 2012 Mar 27. [PubMed:22248144 ]
Schwarcz R, Bruno JP, Muchowski PJ, Wu HQ: Kynurenines in the mammalian brain: when physiology meets pathology. Nat Rev Neurosci. 2012 Jul;13(7):465-77. doi: 10.1038/nrn3257. [PubMed:22678511 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Quinolinic acid (MMDBc0000507)

MOL for #<Metabolite:0x00007f46e1152e60>

3D MOL for #<Metabolite:0x00007f46e1152e60>

3D SDF for #<Metabolite:0x00007f46e1152e60>

3D-SDF for #<Metabolite:0x00007f46e1152e60>

PDB for #<Metabolite:0x00007f46e1152e60>

3D PDB for #<Metabolite:0x00007f46e1152e60>

SMILES for #<Metabolite:0x00007f46e1152e60>

INCHI for #<Metabolite:0x00007f46e1152e60>

Structure for #<Metabolite:0x00007f46e1152e60>

3D Structure for #<Metabolite:0x00007f46e1152e60>