MiMeDB: Showing metabocard for Homogentisic acid (MMDBc0047902)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-23 23:06:06 UTC

Update Date

2022-09-01 02:00:48 UTC

Metabolite ID

MMDBc0047902

Metabolite Identification

Common Name

Homogentisic acid

Description

Homogentisic acid, also known as melanic acid, is an intermediate in the breakdown or catabolism of tyrosine and phenylalanine. It is generated from the compound p-hydroxyphenylpyruvate through the enzyme p-hydroxyphenylpyruvate dehydrogenase. The resulting homogentisic acid is then broken down into 4-maleylacetoacetate via the enzyme homogentisate 1,2-dioxygenase. Homogentisic acid is also found in other organisms. For instance, it can found in Arbutus unedo (strawberry-tree) honey, in the bacterial plant pathogen Xanthomonas campestris as well as in the yeast Yarrowia lipolytica where it is associated with the production of brown pigments. Homogentisic acid can be oxidatively dimerized to form hipposudoric acid, one of the main constituents of the 'blood sweat' of hippopotamuses. When present in sufficiently high levels, homogentisic acid can function as an osteotoxin and a renal toxin. An osteotoxin is a substance that causes damage to bones and/or joints. A renal toxin causes damage to the kidneys. Chronically high levels of homogentisic acid are associated with alkaptonuria (OMIM: 203500 ), an inborn error of metabolism. Alkaptonuria is a rare inherited genetic disorder in which the body cannot process the amino acids phenylalanine and tyrosine. It is caused by a mutation in the enzyme homogentisate 1,2-dioxygenase (EC 1.13.11.5), which leads to an accumulation of homogentisic acid in the blood and tissues. Homogentisic acid and its oxidized form benzoquinone acetic acid are excreted in the urine, giving it an unusually dark color. The accumulating homogentisic acid (and benzoquinone acetic acid) causes damage to cartilage (ochronosis, leading to osteoarthritis) and heart valves as well as precipitating as kidney stones and stones in other organs. More specifically, homogentisic acid can be converted to benzoquinone acetic acid (BQA), and the resulting BQA can be readily converted to polymers that resemble the dark skin pigment melanin. These polymers are deposited in the collagen, a connective tissue protein, of particular tissues such as cartilage. This process is called ochronosis (as the tissue looks ochre); ochronotic tissue is stiffened and unusually brittle, impairing its normal function and causing damage. Homogentisic acid is the primary precursor of melanin synthesis in Vibrio cholerae.

Structure

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

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  C   UNK     0    8667.3328668.205   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8668.6668667.436   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8669.9968668.205   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8668.6668665.899   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8664.6738669.743   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8664.6738663.591   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8666.0048667.437   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8664.6708668.207   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8663.3368667.437   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8663.3368665.897   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8664.6708665.127   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8666.0048665.897   0.000  0.00  0.00           C+0
CONECT    1    2    7                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    8                                                            
CONECT    6   11                                                            
CONECT    7    8   12    1                                                  
CONECT    8    7    9    5                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12    6                                                  
CONECT   12   11    7                                                       
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END

Synonyms

Value	Source
2,5-Dihydroxyphenylacetic acid	ChEBI
2-(3,6-DIHYDROXYPHENYL)acetIC ACID	ChEBI
2,5-Dihydroxyphenylacetate	Kegg
2-(3,6-DIHYDROXYPHENYL)acetate	Generator
Homogentisate	Generator
(2,5-Dihydroxyphenyl)-acetate	HMDB
(2,5-Dihydroxyphenyl)-acetic acid	HMDB
2,5-Dihydroxy-a-toluate	HMDB
2,5-Dihydroxy-a-toluic acid	HMDB
2,5-Dihydroxy-alpha-toluate	HMDB
2,5-Dihydroxy-alpha-toluic acid	HMDB
2,5-Dihydroxy-benzeneacetate	HMDB
2,5-Dihydroxy-benzeneacetic acid	HMDB
Alcapton	HMDB
Homogentisate acid	HMDB
Homogentisinate	HMDB
Homogentisinic acid	HMDB
Melanic acid	HMDB
Acid, homogentisic	HMDB

Molecular Formula

C₈H₈O₄

Average Mass

168.1467

Monoisotopic Mass

168.042258744

IUPAC Name

2-(2,5-dihydroxyphenyl)acetic acid

Traditional Name

homogentisic acid

CAS Registry Number

451-13-8

SMILES

OC(=O)CC1=C(O)C=CC(O)=C1

InChI Identifier

InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)

InChI Key

IGMNYECMUMZDDF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2(hydroxyphenyl)acetic acids. These are phenylacetic acids that carry a hydroxyl group at the 2-position.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Phenylacetic acids

Direct Parent

2(hydroxyphenyl)acetic acids

Alternative Parents

Substituents

2(hydroxyphenyl)acetic acid
Hydroquinone
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

hydroquinones (CHEBI:44747 )
dihydroxyphenylacetic acid (CHEBI:44747 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	8.1 g/L	ALOGPS
logP	0.81	ALOGPS
logP	1	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	3.57	ChemAxon
pKa (Strongest Basic)	-5.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	41.33 m³·mol⁻¹	ChemAxon
Polarizability	15.57 Å³	ChemAxon
Number of Rings	1	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
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-000t-0945000000-2f4b9ef9c9ee6e7cd1ed	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (3 TMS)	splash10-0016-3955000000-1cdc64ab3032ff29df29	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a5c-0679000000-97890865f85a79efa2e6	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-000t-0945000000-2f4b9ef9c9ee6e7cd1ed	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0016-3955000000-1cdc64ab3032ff29df29	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-0944000000-fd48cc27da661ce24833	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-4900000000-ea40fc8d43156151710c	2017-08-28	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-014i-5093000000-c342ba08a9bff049fc1c	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 (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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_1_3) - 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
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_3_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-00di-0900000000-9c395aa569b4b54f8681	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-00xs-9500000000-ab92286f0d5bc843814b	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-014l-9000000000-35740a40f4fdf3e84c3c	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-014i-0900000000-f4eba60d63bd99e18b8b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-00di-0900000000-12e330dc18f0b128b961	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-00di-0900000000-4bd53b0472edd31e8609	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-00di-0900000000-7121173193a9ba3751a4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-00di-1900000000-04eca21bf25c671b8b6e	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-00di-0900000000-780d3740762c2ff89d9a	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-014i-0900000000-f4eba60d63bd99e18b8b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-00di-0900000000-12e330dc18f0b128b961	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-00di-0900000000-4bd53b0472edd31e8609	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-00di-0900000000-7121173193a9ba3751a4	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-00di-1900000000-04eca21bf25c671b8b6e	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-00di-0900000000-9c85164306514c6d4c4b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-00di-0900000000-867a4e32ba2d14fd0aad	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-00di-0900000000-ac8e05a9300b51b24e77	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-00di-1900000000-eeb664cef1197d609735	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-00di-0900000000-1d890267ec7f3a5843b3	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0gb9-0900000000-a650bbb95019f3305d03	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-1900000000-94f13b2c7b9726353701	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-05tf-9300000000-968a6390a00dcd77e566	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-01b9-0900000000-0f9d5926d702af7d4d63	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-01b9-1900000000-7f257033d3b1952b3c27	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9800000000-bbcb0f0d7348cd1663b1	2017-07-26	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)		2014-09-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 22.53 MHz, DMSO-d6, experimental)		2014-09-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	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)		2012-12-04	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Cartilage
Feces
Kidney
Urine

Tissue Locations

Cartilage
Kidney

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192461	4-hydroxyphenylpyruvate dioxygenase	Unknown	P32754	Homo sapiens
MMDBp0192462	Homogentisate 1,2-dioxygenase	Unknown	Q93099	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0000056	4-Hydroxyphenylpyruvic acid	Carbon dioxide	Not Available	4-Hydroxyphenylpyruvate:Oxygen Oxidoreductase	VMH	30371894
MMDBr0001435	Homogentisic acid	Maleylacetoacetic acid	Not Available	Homogentisate:Oxygen 1, 2-Oxidoreductase (Decyclizing)	VMH	30371894
MMDBr0006041	Homogentisic acid	Homogentisic acid	Not Available	Transport of Homogentisate	VMH	30371894
MMDBr0010299	Homogentisic acid	Carbon dioxide	Not Available	HMR_4702	VMH	30371894
MMDBr0013426	Homogentisic acid	Maleylacetoacetic acid	Homogentisate 1,2-dioxygenase	Oxygenation	RHEA	34755880
MMDBr0013427	Homogentisic acid	Maleylacetoacetic acid	Homogentisate 1,2-dioxygenase hmgA	Oxygenation	RHEA	34755880
MMDBr0013503	3-(4-hydroxyphenyl)pyruvic acid	Carbon dioxide	4-hydroxyphenylpyruvate dioxygenase	Oxygenation	RHEA	34755880
MMDBr0013504	3-(4-hydroxyphenyl)pyruvic acid	Carbon dioxide	4-hydroxyphenylpyruvate dioxygenase	Oxygenation	RHEA	34755880
MMDBr0014183	3-Hydroxyphenylacetic acid	Water	3-hydroxyphenylacetate 6-hydroxylase	Hydroxylation	RHEA	34755880
MMDBr0014184	3-Hydroxyphenylacetic acid	Water	3-hydroxyphenylacetate 6-hydroxylase	Hydroxylation	RHEA	34755880
MMDBr0015604	Hydrogen Ion	2-Methyl-6-phytylhydroquinone	Homogentisate phytyltransferase	Transfer of a phytyl group	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Alkaptonuria		Association	Human Urine	HMDB	19014543
Alkaptonuria		Association	Human Urine	HMDB	12705346
Alkaptonuria	Increased	Association	Human Urine	HMDB	9529368
Alkaptonuria		Association	Human Urine	HMDB	25956497
Alkaptonuria		Association	Human Urine	HMDB	2914385
Alkaptonuria	Increased	Association	Human Urine	HMDB	12501223
Alkaptonuria		Association	Human Blood	HMDB	2914385
Alkaptonuria	Increased	Association	Human Blood	HMDB	2383921
Eosinophilic esophagitis		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	137	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Turkey	Metabolic reconstruction
Bacteria	Firmicutes	15	Human feces	Metabolic reconstruction
Bacteria	Actinobacteria	22	Human feces; Human	Metabolic reconstruction
Bacteria	Bacteroidetes	5	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	10	Human feces
Bacteria/NULL	Proteobacteria	1	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Turkey	Metabolic reconstruction
Bacteria	nah	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal	Milk	Bos taurus	FooDB	31437929
Animal		Chondrus crispus	FooDB	31437929
Animal		Laminaria	FooDB	31437929
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
Plant		Scorzonera hispanica	FooDB	31437929
Plant		Angelica keiskei	FooDB	31437929
Plant		Musa x paradisiaca	FooDB	31437929
Plant	Sprout seedling	Lupinus albus	FooDB	31437929
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant		Rubus idaeus	FooDB	31437929
Plant		Ipomoea aquatica	FooDB	31437929
Plant		Cuminum cyminum	FooDB	31437929
Plant		Arachis hypogaea	FooDB	31437929
Plant		Rubus spectabilis	FooDB	31437929
Plant		Pyrus communis	FooDB	31437929
Plant		Fragaria x ananassa	FooDB	31437929
Plant		Allium sativum	FooDB	31437929
Plant		Solanum lycopersicum	FooDB	31437929
Plant		Sinapis alba	FooDB	31437929
Plant		Mentha spicata	FooDB	31437929
Plant		Cantharellus cibarius	FooDB	31437929
Plant		Apium graveolens var. secalinum	FooDB	31437929
Plant		Zingiber officinale	FooDB	31437929
Plant		Brassica ruvo	FooDB	31437929
Plant		Moringa oleifera	FooDB	31437929
Plant		Abelmoschus esculentus	FooDB	31437929
Plant		Morus nigra	FooDB	31437929
Plant		Helianthus annuus	FooDB	31437929
Plant		Vigna angularis	FooDB	31437929
Plant		Pinus edulis	FooDB	31437929
Plant		Passiflora edulis	FooDB	31437929
Plant		Ribes nigrum	FooDB	31437929
Plant		Pisum sativum	FooDB	31437929
Plant		Opuntia macrorhiza	FooDB	31437929
Plant		Petroselinum crispum	FooDB	31437929
Plant		Sambucus nigra	FooDB	31437929
Plant		Cucurbita pepo var. clypeata	FooDB	31437929
Plant		Manilkara zapota	FooDB	31437929
Plant		Laurus nobilis	FooDB	31437929
Plant		Corylus	FooDB	31437929
Plant		Malus	FooDB	31437929
Plant		Mangifera indica	FooDB	31437929
Plant		Juglans	FooDB	31437929
Plant		Allium cepa	FooDB	31437929
Plant		Illicium verum	FooDB	31437929
Plant		Chamaemelum nobile	FooDB	31437929
Plant			FooDB	31437929
Plant		Melissa officinalis	FooDB	31437929
Plant		Vaccinium corymbosum	FooDB	31437929
Plant		Auricularia auricula-judae	FooDB	31437929
Plant		Attalea speciosa	FooDB	31437929
Plant		Hippophae rhamnoides	FooDB	31437929
Plant		Spinacia oleracea	FooDB	31437929
Plant		Juglans ailanthifolia	FooDB	31437929
Plant		Thymus vulgaris	FooDB	31437929
Plant		Carica papaya	FooDB	31437929
Plant	Root	Beta vulgaris var. rubra	FooDB	31437929
Plant		Polygonum alpinum	FooDB	31437929
Plant		Actinidia chinensis	FooDB	31437929
Plant		Brassica juncea	FooDB	31437929
Plant			FooDB	31437929
Plant		Pimenta dioica	FooDB	31437929
Plant		Pediomelum esculentum	FooDB	31437929
Plant		Auricularia polytricha	FooDB	31437929
Plant		Camellia oleifera	FooDB	31437929
Plant		Chrysanthemum coronarium	FooDB	31437929
Plant		Eleocharis dulcis	FooDB	31437929
Plant		Medicago sativa	FooDB	31437929
Plant		Vigna mungo	FooDB	31437929
Plant		Hibiscus sabdariffa	FooDB	31437929
Plant		Rubus arcticus	FooDB	31437929
Plant		Foeniculum vulgare	FooDB	31437929
Plant		Origanum majorana	FooDB	31437929
Plant		Agaricus bisporus	FooDB	31437929
Plant		Armoracia rusticana	FooDB	31437929
Plant		Prunus persica	FooDB	31437929
Plant		Brassica oleracea var. gongylodes	FooDB	31437929
Plant		Cajanus cajan	FooDB	31437929
Plant		Rumex articus	FooDB	31437929
Plant		Phoenix dactylifera	FooDB	31437929
Plant		Brassica oleracea var. gemmifera	FooDB	31437929
Plant		Vaccinium macrocarpon	FooDB	31437929
Plant		Benincasa hispida	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Canarium ovatum	FooDB	31437929
Plant		Ribes aureum var. villosum	FooDB	31437929
Plant		Rosmarinus officinalis	FooDB	31437929
Plant		Prunus cerasus	FooDB	31437929
Plant		Arctium lappa	FooDB	31437929
Plant			FooDB	31437929
Plant		Juglans cinerea	FooDB	31437929
Plant		Citrus x paradisi	FooDB	31437929
Plant		Ficus carica	FooDB	31437929
Plant		Artocarpus altilis	FooDB	31437929
Plant		Eruca vesicaria ssp. sativa	FooDB	31437929
Plant		Cynara scolymus	FooDB	31437929
Plant		Psidium cattleianum	FooDB	31437929
Plant		Vigna unguiculata	FooDB	31437929
Plant		Lentinus edodes	FooDB	31437929
Plant		Cyathea	FooDB	31437929
Plant		Metroxylon sagu	FooDB	31437929
Plant		Vitis rotundifolia	FooDB	31437929
Plant		Brosimum alicastrum	FooDB	31437929
Plant		Lepidium sativum	FooDB	31437929
Plant		Castanea mollissima	FooDB	31437929
Plant		Morus	FooDB	31437929
Plant		Helianthus tuberosus	FooDB	31437929
Plant		Grifola frondosa	FooDB	31437929
Plant		Phytolacca americana	FooDB	31437929
Plant		Vitis labrusca	FooDB	31437929
Plant		Artemisia vulgaris	FooDB	31437929
Plant		Corylus avellana	FooDB	31437929
Plant		Tetragonia tetragonioides	FooDB	31437929
Plant		Juglans regia	FooDB	31437929
Plant		Cucumis metuliferus	FooDB	31437929
Plant		Nephelium lappaceum	FooDB	31437929
Plant		Myrica	FooDB	31437929
Plant		Castanea crenata	FooDB	31437929
Plant		Litchi chinensis	FooDB	31437929
Plant		Vaccinium angustifolium	FooDB	31437929
Plant			FooDB	31437929
Plant		Quercus	FooDB	31437929
Plant		Trigonella foenum-graecum	FooDB	31437929
Plant		Brassica oleracea var. sabauda	FooDB	31437929
Plant		Levisticum officinale	FooDB	31437929
Plant		Brassica napus	FooDB	31437929
Plant		Physalis	FooDB	31437929
Plant		Malpighia emarginata	FooDB	31437929
Plant		Citrus aurantiifolia	FooDB	31437929
Plant		Artemisia dracunculus	FooDB	31437929
Plant		Thelesperma	FooDB	31437929
Plant		Malus pumila	FooDB	31437929
Plant		Asparagus officinalis	FooDB	31437929
Plant		Lactuca sativa	FooDB	31437929
Plant		Pimpinella anisum	FooDB	31437929
Plant		Chamerion angustifolium	FooDB	31437929
Plant		Matricaria recutita	FooDB	31437929
Plant		Eragrostis tef	FooDB	31437929
Plant		Vaccinium elliottii	FooDB	31437929
Plant		Ziziphus zizyphus	FooDB	31437929
Plant		Pistacia vera	FooDB	31437929
Plant		Punica granatum	FooDB	31437929
Plant		Dimocarpus longan	FooDB	31437929
Plant		Salvia hispanica	FooDB	31437929
Plant		Vitellaria paradoxa	FooDB	31437929
Plant		Pangium edule	FooDB	31437929
Plant		Cynara cardunculus	FooDB	31437929
Plant		Allium	FooDB	31437929
Plant		Gossypium	FooDB	31437929
Plant		Brassica oleracea var. viridis	FooDB	31437929
Plant		Agave	FooDB	31437929
Plant		Cucumis sativus	FooDB	31437929
Plant		Diospyros	FooDB	31437929
Plant		Hedysarum alpinum	FooDB	31437929
Plant		Vigna aconitifolia	FooDB	31437929
Plant		Amaranthus	FooDB	31437929
Plant		Apium graveolens var. dulce	FooDB	31437929
Plant		Beta vulgaris	FooDB	31437929
Plant		Mammea americana	FooDB	31437929
Plant		Annona squamosa	FooDB	31437929
Plant		Brassica alboglabra	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Carya illinoinensis	FooDB	31437929
Plant		Xanthosoma sagittifolium	FooDB	31437929
Plant		Basella alba	FooDB	31437929
Plant		Citrus latifolia	FooDB	31437929
Plant		Cinnamomum aromaticum	FooDB	31437929
Plant		Capsicum baccatum var. baccatum	FooDB	31437929
Plant		Ribes rubrum	FooDB	31437929
Plant		Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant		Byrsonima crassifolia	FooDB	31437929
Plant		Mentha arvensis	FooDB	31437929
Plant		Brassica rapa var. chinensis	FooDB	31437929
Plant		Portulaca oleracea	FooDB	31437929
Plant		Capsicum pubescens	FooDB	31437929
Plant		Pastinaca sativa	FooDB	31437929
Plant		Crateva religiosa	FooDB	31437929
Plant			FooDB	31437929
Plant		Ipomoea batatas	FooDB	31437929
Plant		Vitis aestivalis	FooDB	31437929
Plant		Cucurbita maxima	FooDB	31437929
Plant		Eugenia javanica	FooDB	31437929
Plant		Chenopodium album	FooDB	31437929
Plant		Brassica oleracea	FooDB	31437929
Plant		Psophocarpus tetragonolobus	FooDB	31437929
Plant		Vaccinium stamineum	FooDB	31437929
Plant		Allium ampeloprasum	FooDB	31437929
Plant		Sechium edule	FooDB	31437929
Plant		Lactuca sativa l. var. longifolia	FooDB	31437929
Plant		Grataegosorbus mitschurinii	FooDB	31437929
Plant		Diospyros virginiana	FooDB	31437929
Plant		Ananas comosus	FooDB	31437929
Plant		Origanum x majoricum	FooDB	31437929
Plant		Rubus x loganobaccus	FooDB	31437929
Plant		Taraxacum officinale	FooDB	31437929
Plant		Rubus chamaemorus	FooDB	31437929
Plant		Tragopogon porrifolius	FooDB	31437929
Plant		Elettaria cardamomum	FooDB	31437929
Plant		Curcuma longa	FooDB	31437929
Plant		Persea americana	FooDB	31437929
Plant		Rumex	FooDB	31437929
Plant		Allium ascalonicum	FooDB	31437929
Plant		Eugenia uniflora	FooDB	31437929
Plant		Citrullus lanatus var. fistulosus	FooDB	31437929
Plant		Amelanchier alnifolia	FooDB	31437929
Plant		Cinnamomum verum	FooDB	31437929
Plant		Chenopodium quinoa	FooDB	31437929
Plant		Annona reticulata	FooDB	31437929
Plant		Cichorium intybus	FooDB	31437929
Plant		Brassica oleracea var. botrytis	FooDB	31437929
Plant		Cucumis melo	FooDB	31437929
Plant		Glycine max	FooDB	31437929
Plant		Sesbania bispinosa	FooDB	31437929
Plant		Juglans nigra	FooDB	31437929
Plant		Ocimum basilicum	FooDB	31437929
Plant		Ribes x nidigrolaria	FooDB	31437929
Plant		Garcinia mangostana	FooDB	31437929
Plant		Allium tuberosum	FooDB	31437929
Plant		Corchorus olitorius	FooDB	31437929
Plant		Dioscorea pentaphylla	FooDB	31437929
Plant		Mentha x piperita	FooDB	31437929
Plant		Lathyrus sativus	FooDB	31437929
Plant		Petasites japonicus	FooDB	31437929
Plant		Citrus limon	FooDB	31437929
Plant		Gaylussacia baccata	FooDB	31437929
Plant		Prunus tomentosa	FooDB	31437929
Plant		Tilia	FooDB	31437929
Plant		Maranta arundinacea	FooDB	31437929
Plant		Capsicum annuum var. annuum	FooDB	31437929
Plant		Macadamia	FooDB	31437929
Plant		Matteuccia struthiopteris	FooDB	31437929
Plant		Cucurbita moschata	FooDB	31437929
Plant		Sesamum orientale	FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Apium graveolens var. rapaceum	FooDB	31437929
Plant		Papaver	FooDB	31437929
Plant		Vaccinium myrtilloides	FooDB	31437929
Plant		Rosa	FooDB	31437929
Plant		Brassica oleracea var. conica	FooDB	31437929
Plant		Nelumbo	FooDB	31437929
Plant		Annona cherimola	FooDB	31437929
Plant		Brassica rapa var. pekinensis	FooDB	31437929
Plant		Brassica rapa	FooDB	31437929
Plant		Lippia graveolens	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Capparis spinosa	FooDB	31437929
Plant		Citrullus lanatus	FooDB	31437929
Plant		Lens culinaris	FooDB	31437929
Plant		Vaccinium deliciosum	FooDB	31437929
Plant		Phaseolus lunatus	FooDB	31437929
Plant		Linum usitatissimum	FooDB	31437929
Plant		Musa acuminata	FooDB	31437929
Plant		Artocarpus heterophyllus	FooDB	31437929
Plant		Prunus armeniaca	FooDB	31437929
Plant		Citrus reticulata	FooDB	31437929
Plant		Prunus virginiana	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Anethum graveolens	FooDB	31437929
Plant		Carum carvi	FooDB	31437929
Plant		Macadamia tetraphylla	FooDB	31437929
Plant		Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant		Allium schoenoprasum	FooDB	31437929
Plant		Phyllostachys edulis	FooDB	31437929
Plant		Camellia sinensis	FooDB	31437929
Plant		Lagenaria siceraria	FooDB	31437929
Plant		Brassica rapa var. rapa	FooDB	31437929
Plant		Averrhoa carambola	FooDB	31437929
Plant		Satureja hortensis	FooDB	31437929
Plant		Carissa macrocarpa	FooDB	31437929
Plant		Coriandrum sativum	FooDB	31437929
Plant		Sorbus aucuparia	FooDB	31437929
Plant		Bertholletia excelsa	FooDB	31437929
Plant		Nelumbo nucifera	FooDB	31437929
Plant		Cymbopogon citratus	FooDB	31437929
Plant		Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant		Brassica oleracea var. costata	FooDB	31437929
Plant		Ceratonia siliqua	FooDB	31437929
Plant		Panax	FooDB	31437929
Plant		Anacardium occidentale	FooDB	31437929
Plant		Carthamus tinctorius	FooDB	31437929
Plant		Rubus occidentalis	FooDB	31437929
Plant		Luffa aegyptiaca	FooDB	31437929
Plant		Cicer arietinum	FooDB	31437929
Plant		Vigna umbellata	FooDB	31437929
Plant		Allium fistulosum	FooDB	31437929
Plant		Capsicum	FooDB	31437929
Plant		Vaccinium alaskaense	FooDB	31437929
Plant		Eriobotrya japonica	FooDB	31437929
Plant		Lupinus	FooDB	31437929
Plant		Tilia cordata	FooDB	31437929
Plant		Prunus persica var. nucipersica	FooDB	31437929
Plant		Daucus carota ssp. sativus	FooDB	31437929
Plant		Phaseolus vulgaris	FooDB	31437929
Plant		Vaccinium myrtillus	FooDB	31437929
Plant		Durio zibethinus	FooDB	31437929
Plant		Oenothera biennis	FooDB	31437929
Plant		Syzygium aromaticum	FooDB	31437929
Plant		Brassica napus var. pabularia	FooDB	31437929
Plant		Theobroma cacao	FooDB	31437929
Plant		Diospyros kaki	FooDB	31437929
Plant		Ribes glandulosum	FooDB	31437929
Plant		Vaccinium oxycoccos	FooDB	31437929
Plant		Virola surinamensis	FooDB	31437929
Plant		Verbena officinalis	FooDB	31437929
Plant		Rumex acetosa	FooDB	31437929
Plant		Brassica oleracea var. capitata	FooDB	31437929
Plant		Vicia faba	FooDB	31437929
Plant		Vaccinium parvifolium	FooDB	31437929
Plant		Vitis vinifera	FooDB	31437929
Plant		Pyrus pyrifolia	FooDB	31437929
Plant		Aloysia triphylla	FooDB	31437929
Plant		Capsicum annuum	FooDB	31437929
Plant		Ginkgo biloba	FooDB	31437929
Plant		Capsicum chinense	FooDB	31437929
Plant		Theobroma grandiflorum	FooDB	31437929
Plant		Vaccinium reticulatum	FooDB	31437929
Plant		Solanum quitoense	FooDB	31437929
Plant		Satureja montana	FooDB	31437929
Plant		Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant		Flammulina velutipes	FooDB	31437929
Plant		Prunus avium	FooDB	31437929
Plant		Citrus japonica	FooDB	31437929
Plant			FooDB	31437929
Plant		Piper nigrum	FooDB	31437929
Plant		Perideridia oregana	FooDB	31437929
Plant		Origanum onites	FooDB	31437929
Plant		Origanum vulgare	FooDB	31437929
Plant		Vaccinium arboreum	FooDB	31437929
Plant		Pouteria sapota	FooDB	31437929
Plant		Wasabia japonica	FooDB	31437929
Plant		Brassica oleracea var. italica	FooDB	31437929
Plant		Viburnum edule	FooDB	31437929
Plant		Dioscorea	FooDB	31437929
Plant		Momordica charantia	FooDB	31437929
Plant		Vaccinium uliginosum	FooDB	31437929
Plant		Solanum melongena	FooDB	31437929
Plant		Myristica fragrans	FooDB	31437929
Plant		Apium graveolens	FooDB	31437929
Plant		Castanea	FooDB	31437929
Plant		Rubus ursinus x idaeus	FooDB	31437929
Plant		Cirsium	FooDB	31437929
Plant		Raphanus sativus var. sativus	FooDB	31437929
Plant		Prunus persica var. persica	FooDB	31437929
Plant		Pleurotus ostreatus	FooDB	31437929
Plant		Opuntia	FooDB	31437929
Plant		Anthriscus cerefolium	FooDB	31437929
Plant		Colocasia esculenta	FooDB	31437929
Plant		Nuphar lutea	FooDB	31437929
Plant		Pachyrhizus erosus	FooDB	31437929
Plant		Cichorium endivia	FooDB	31437929
Plant		Ribes uva-crispa	FooDB	31437929
Plant		Cinnamomum	FooDB	31437929
Plant		Elaeis	FooDB	31437929
Plant		Salvia officinalis	FooDB	31437929
Plant		Raphanus sativus var. niger	FooDB	31437929
Plant		Crocus sativus	FooDB	31437929
Plant		Photinia melanocarpa	FooDB	31437929
Plant		Feijoa sellowiana	FooDB	31437929
Plant		Dysphania ambrosioides	FooDB	31437929
Plant		Rheum rhabarbarum	FooDB	31437929
Plant		Vaccinium	FooDB	31437929
Plant		Citrus maxima	FooDB	31437929
Plant		Lablab purpureus	FooDB	31437929
Plant		Cydonia oblonga	FooDB	31437929
Plant		Cucurbita	FooDB	31437929
Plant		Castanea sativa	FooDB	31437929
Plant		Syzygium jambos	FooDB	31437929
Plant		Annona muricata	FooDB	31437929
Plant		Salix pulchra	FooDB	31437929
Plant		Fagus	FooDB	31437929
Plant		Tamarindus indica	FooDB	31437929
Plant		Vaccinium ovatum	FooDB	31437929
Plant		Opuntia cochenillifera	FooDB	31437929
Plant		Cocos nucifera	FooDB	31437929
Plant		Solanum tuberosum	FooDB	31437929
Plant		Psidium guajava	FooDB	31437929
Plant		Phaseolus coccineus	FooDB	31437929
Plant		Thymus pulegioides	FooDB	31437929
Plant		Mentha aquatica	FooDB	31437929
Plant		Mespilus germanica	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Brassica rapa var. perviridis	FooDB	31437929
Plant		Olea europaea	FooDB	31437929
Plant		Mentha	FooDB	31437929
Plant		Pinus	FooDB	31437929
Plant		Salvia elegans	FooDB	31437929
Plant		Daucus carota	FooDB	31437929
Plant		Sagittaria latifolia	FooDB	31437929
Plant		Sambucus	FooDB	31437929
Plant		Syzygium cumini	FooDB	31437929
Plant		Vaccinium vitis-idaea	FooDB	31437929
Plant		Tilia tomentosa	FooDB	31437929
Plant		Empetrum nigrum	FooDB	31437929
Plant		Typha angustifolia	FooDB	31437929
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant		Valerianella locusta	FooDB	31437929
Plant		Myrica rubra	FooDB	31437929
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant		Prunus dulcis	FooDB	31437929
Plant		Sisymbrium	FooDB	31437929
Plant		Vanilla	FooDB	31437929
Plant		Borago officinalis	FooDB	31437929
Plant		Raphanus sativus	FooDB	31437929
Plant		Hyssopus officinalis	FooDB	31437929
Plant		Vigna radiata	FooDB	31437929
Plant		Carya	FooDB	31437929
Plant		Beta vulgaris ssp. cicla	FooDB	31437929
Plant		Manihot esculenta	FooDB	31437929
Plant		Physalis philadelphica var. immaculata	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 Urine	Detected and Quantified	666.085				umol/mmol creatinine	Infant (0-1 year old)	Female	Homogentisic Acid Oxidase deficiency (Alkaptonuria)	HMDB	19014543
Human Urine	Detected and Quantified	2100				umol/mmol creatinine	Infant (0-1 year old)	Female	Homogentisic Acid Oxidase deficiency (Alkaptonuria)	HMDB	12705346
Human Urine	Detected and Quantified	4690				umol/mmol creatinine	Children (1 - 13 years old)	Female	Homogentisic Acid Oxidase deficiency (Alkaptonuria)	HMDB	12705346
Human Urine	Detected and Quantified	5020				umol/mmol creatinine	Children (1 - 13 years old)	Female	Homogentisic Acid Oxidase deficiency (Alkaptonuria)	HMDB	12705346
Human Urine	Detected and Quantified	> 2780				umol/mmol creatinine	Adult (>18 years old)	Both	Alkaptonuria	HMDB	9529368
Human Urine	Detected and Quantified	>1189.438				umol/mmol creatinine	Newborn (0-30 days old)	Male	Homogentisic Acid Oxidase deficiency (Alkaptonuria)	HMDB	25956497
Human Urine	Detected and Quantified	>1189.438				umol/mmol creatinine	Newborn (0-30 days old)	Male	Alkaptonuria	HMDB	25956497
Human Urine	Detected and Quantified			1570	2220	umol/mmol creatinine	Children (1 - 13 years old)	Female	Homogentisic Acid Oxidase deficiency (Alkaptonuria)	HMDB	12705346
Human Urine	Detected and Quantified			1746.67	2500.00	umol/mmol creatinine	Adult (>18 years old)	Not Specified	Alkaptonuria	HMDB	2914385
Human Urine	Detected and Quantified	1819		1134	2504	umol/mmol creatinine	Adult (>18 years old)	Both	Alkaptonuria	HMDB	12501223
Human Urine	Detected and Quantified			1980	2710	umol/mmol creatinine	Children (1 - 13 years old)	Female	Homogentisic Acid Oxidase deficiency (Alkaptonuria)	HMDB	12705346
Human Blood	Detected and Quantified			33.33	46.5	uM	Adult (>18 years old)	Not Specified	Alkaptonuria	HMDB	2914385
Human Blood	Detected and Quantified	35.5		33.0	38.0	uM	Adult (>18 years old)	Both	Alkaptonuria	HMDB	2383921
Human Urine	Detected and Quantified	0.04	0.17			umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	2026685
Human Blood	Detected and Quantified	0.043		0.014	0.071	uM	Adult (>18 years old)	Both	Normal	HMDB	8925087
Human Urine	Detected and Quantified	1.70		0.5	2.8	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	14.333	9.278			umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	HMDB	12705346
Human Urine	Detected and Quantified	16.593	12.251			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	12705346
Human Urine	Detected and Quantified	16.771	13.262			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	12705346
Human Urine	Detected and Quantified	7.315	4.698			umol/mmol creatinine	Adolescent (13-18 years old)	Not Specified	Normal	HMDB	12705346
Human Urine	Detected and Quantified	7.672	3.330			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	12705346
Human Urine	Detected and Quantified	3.009	1.469			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	1.917	1.061			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	0				umol/mmol creatinine	Children (1 - 18 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Cartilage	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	19573517
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Feces	Detected but not Quantified						Adult (>18 years old)	Female	Normal	HMDB	26709303
Human Feces	Detected but not Quantified						Children (6 - 18 years old)	Not Specified	Normal	HMDB	27609529
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

HMDB0000130

DrugBank ID

DB08327

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

44747

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Venkataseshan VS, Chandra B, Graziano V, Steinlauf P, Marquet E, Irmiere V, Needle MA: Alkaptonuria and renal failure: a case report and review of the literature. Mod Pathol. 1992 Jul;5(4):464-71. [PubMed:1495952 ]
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 ]
Bory C, Boulieu R, Chantin C, Mathieu M: Diagnosis of alcaptonuria: rapid analysis of homogentisic acid by HPLC. Clin Chim Acta. 1990 Jul;189(1):7-11. doi: 10.1016/0009-8981(90)90228-k. [PubMed:2383921 ]
Hegedus ZL, Nayak U: Homogentisic acid and structurally related compounds as intermediates in plasma soluble melanin formation and in tissue toxicities. Arch Int Physiol Biochim Biophys. 1994 May-Jun;102(3):175-81. doi: 10.3109/13813459409007534. [PubMed:8000039 ]
Janocha S, Wolz W, Srsen S, Srsnova K, Montagutelli X, Guenet JL, Grimm T, Kress W, Muller CR: The human gene for alkaptonuria (AKU) maps to chromosome 3q. Genomics. 1994 Jan 1;19(1):5-8. doi: 10.1006/geno.1994.1003. [PubMed:8188241 ]
Deutsch JC, Santhosh-Kumar CR: Quantitation of homogentisic acid in normal human plasma. J Chromatogr B Biomed Appl. 1996 Feb 23;677(1):147-51. doi: 10.1016/0378-4347(95)00442-4. [PubMed:8925087 ]
Concepcion Masip T, Banares Baudet F, Traba ML, Rodriguez de Minon Cifuentes JL: [Alkaptonuria, prostatic calculi, and ectopic ureter]. Actas Urol Esp. 1997 Feb;21(2):167-70. [PubMed:9214216 ]
La Du BN Jr: Are we ready to try to cure alkaptonuria? Am J Hum Genet. 1998 Apr;62(4):765-7. doi: 10.1086/301810. [PubMed:9529368 ]
de Haas V, Carbasius Weber EC, de Klerk JB, Bakker HD, Smit GP, Huijbers WA, Duran M, Poll-The BT: The success of dietary protein restriction in alkaptonuria patients is age-dependent. J Inherit Metab Dis. 1998 Dec;21(8):791-8. doi: 10.1023/a:1005410416482. [PubMed:9870204 ]
Phornphutkul C, Introne WJ, Perry MB, Bernardini I, Murphey MD, Fitzpatrick DL, Anderson PD, Huizing M, Anikster Y, Gerber LH, Gahl WA: Natural history of alkaptonuria. N Engl J Med. 2002 Dec 26;347(26):2111-21. doi: 10.1056/NEJMoa021736. [PubMed:12501223 ]
Ehongo A, Schrooyen M, Pereleux A: [Important bilateral corneal astigmatism in a case of ocular ochronosis]. Bull Soc Belge Ophtalmol. 2005;(295):17-21. [PubMed:15849984 ]

Showing metabocard for Homogentisic acid (MMDBc0047902)

MOL for #<Metabolite:0x00007fe2a87df900>

3D MOL for #<Metabolite:0x00007fe2a87df900>

3D SDF for #<Metabolite:0x00007fe2a87df900>

3D-SDF for #<Metabolite:0x00007fe2a87df900>

PDB for #<Metabolite:0x00007fe2a87df900>

3D PDB for #<Metabolite:0x00007fe2a87df900>

SMILES for #<Metabolite:0x00007fe2a87df900>

INCHI for #<Metabolite:0x00007fe2a87df900>

Structure for #<Metabolite:0x00007fe2a87df900>

3D Structure for #<Metabolite:0x00007fe2a87df900>