MiMeDB: Showing metabocard for Fumaric acid (MMDBc0000039)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:28:08 UTC

Update Date

2024-09-28 02:07:43 UTC

Metabolite ID

MMDBc0000039

Metabolite Identification

Common Name

Fumaric acid

Description

Fumaric acid is a dicarboxylic acid. It is a precursor to L-malate in the Krebs tricarboxylic acid (TCA) cycle. It is formed by the oxidation of succinic acid by succinate dehydrogenase. Fumarate is converted by the enzyme fumarase to malate. Fumaric acid has recently been identified as an oncometabolite or an endogenous, cancer causing metabolite. High levels of this organic acid can be found in tumors or biofluids surrounding tumors. Its oncogenic action appears to due to its ability to inhibit prolyl hydroxylase-containing enzymes. In many tumours, oxygen availability becomes limited (hypoxia) very quickly due to rapid cell proliferation and limited blood vessel growth. The major regulator of the response to hypoxia is the HIF transcription factor (HIF-alpha). Under normal oxygen levels, protein levels of HIF-alpha are very low due to constant degradation, mediated by a series of post-translational modification events catalyzed by the prolyl hydroxylase domain-containing enzymes PHD1, 2 and 3, (also known as EglN2, 1 and 3) that hydroxylate HIF-alpha and lead to its degradation. All three of the PHD enzymes are inhibited by fumarate. Fumaric acid is found to be associated with fumarase deficiency, which is an inborn error of metabolism. It is also a metabolite of Aspergillus.

Structure

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

Synonyms

Value	Source
(2E)-2-Butenedioic acid	ChEBI
(e)-2-Butenedioic acid	ChEBI
e297	ChEBI
Fumarsaeure	ChEBI
trans-1,2-Ethylenedicarboxylic acid	ChEBI
trans-But-2-enedioic acid	ChEBI
trans-Butenedioic acid	ChEBI
(2E)-2-Butenedioate	Generator
(e)-2-Butenedioate	Generator
trans-1,2-Ethylenedicarboxylate	Generator
trans-But-2-enedioate	Generator
trans-Butenedioate	Generator
Fumarate	Generator
(2E)-But-2-enedioate	HMDB
(2E)-But-2-enedioic acid	HMDB
2-(e)-Butenedioate	HMDB
2-(e)-Butenedioic acid	HMDB
Allomaleate	HMDB
Allomaleic acid	HMDB
Boletate	HMDB
Boletic acid	HMDB
FC 33	HMDB
Lichenate	HMDB
Lichenic acid	HMDB
trans-2-Butenedioate	HMDB
trans-2-Butenedioic acid	HMDB
Furamag	HMDB
Mafusol	HMDB
Fumaric acid	HMDB

Molecular Formula

C₄H₄O₄

Average Mass

116.0722

Monoisotopic Mass

116.010958616

IUPAC Name

(2E)-but-2-enedioic acid

Traditional Name

fumaric acid

CAS Registry Number

110-17-8

SMILES

OC(=O)\C=C\C(O)=O

InChI Identifier

InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+

InChI Key

VZCYOOQTPOCHFL-OWOJBTEDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Dicarboxylic acids and derivatives

Direct Parent

Dicarboxylic acids and derivatives

Alternative Parents

Substituents

Fatty acyl
Fatty acid
Unsaturated fatty acid
Dicarboxylic acid or derivatives
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

butenedioic acid (CHEBI:18012 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	24.1 g/L	ALOGPS
logP	0.21	ALOGPS
logP	-0.041	ChemAxon
logS	-0.68	ALOGPS
pKa (Strongest Acidic)	3.55	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.6 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	24.61 m³·mol⁻¹	ChemAxon
Polarizability	9.35 Å³	ChemAxon
Number of Rings	0	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)	splash10-0002-2940000000-e988056514d4ce4acc27	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)	splash10-0002-2960000000-a5ebaf2bbade922838ec	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)	splash10-0002-2950000000-32afa4d45e0e72b174b4	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)	splash10-0002-0950000000-fe0f05c02c783d0b6f6b	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-9530000000-0fc03f31f09dc8dbf4c6	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (2 TMS)	splash10-0002-3690000000-75089756992cdbe841e3	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0002-9100000000-2cf649749b42cc0c610c	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0007-0890000000-b1c35cd55deb81254f66	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-2940000000-e988056514d4ce4acc27	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-2960000000-a5ebaf2bbade922838ec	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-2950000000-32afa4d45e0e72b174b4	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-0950000000-fe0f05c02c783d0b6f6b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-006t-9530000000-0fc03f31f09dc8dbf4c6	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0002-3690000000-75089756992cdbe841e3	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0002-0940000000-177fdb9168659029ffaa	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-01ba-9200000000-52f88e04bac0ff8cdf17	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00di-8920000000-06da44f348d0fe0358b3	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 (TBDMS_1_1) - 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, Negative (Annotated)	splash10-00di-9100000000-57f13cd433a6fe4bf0b3	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated)	splash10-0229-9600000000-cd9e2979d0bb1e2a62f2	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)	splash10-03k9-8900000000-dc50dbf8a50872383d54	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - EI-B (HITACHI RMU-6L) , Positive	splash10-0002-9100000000-b47e534bc82a6ed36e7c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-00di-9000000000-04b277f233e1bd56c9af	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-03di-4900000000-99764eff7d7cb7bfaee3	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-00di-9000000000-453b921a0aaf64cfd558	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0f6x-9000000000-cd7e7026d13bb5fe844b	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-00dj-9000000000-383c22a29e2769626c47	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-0ir3-9000000000-3013847e2e0f9bf18d29	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-00di-9000000000-9cc4f29b523ed34dc0b6	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 15V, Negative	splash10-00di-9000000000-d9885a6093f38dd8b9fa	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 45V, Negative	splash10-00di-9000000000-46fdee94b5a787f1b81f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-03k9-8900000000-3ff0fb725ec9dffc3688	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-014m-9000000000-394fd8f1b59c7befec9d	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014j-9800000000-dbf34563376daeb2901f	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00xs-9200000000-113bf08cdc77707ed3ad	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00fr-9000000000-f32d7ec65e8649bc2b0a	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-2900000000-408d53a9fff7acc8ca23	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-6900000000-f149e9e5a34e27dd4d4e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0fxt-9000000000-cae5f71dc27daaf17d9e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-9000000000-3d34cd791255c022876a	2021-09-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00di-9000000000-55a5c43ec34fdd2cb0a4	2021-09-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0uk9-9000000000-7c9639a65d534cd8ff97	2021-09-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000t-9000000000-c5eb63dc643f72e91ede	2021-09-25	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0092-9000000000-003dd2d9303272b2ebea	2014-09-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 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	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
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

Extracellular
Membrane
Mitochondria

Biospecimen Locations

Blood
Breast Milk
Cerebrospinal Fluid (CSF)
Feces
Placenta
Prostate
Saliva
Sweat
Urine

Tissue Locations

Placenta
Prostate

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191792	Succinate dehydrogenase cytochrome b560 subunit, mitochondrial	Unknown	Q99643	Homo sapiens
MMDBp0191821	Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial	Unknown	P31040	Homo sapiens
MMDBp0191850	Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial	Unknown	O14521	Homo sapiens
MMDBp0191864	Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial	Unknown	P21912	Homo sapiens
MMDBp0191923	Dopamine beta-hydroxylase	Unknown	P09172	Homo sapiens
MMDBp0192229	Adenylosuccinate lyase	Enzyme	P30566	Homo sapiens
MMDBp0192336	Argininosuccinate lyase	Enzyme	P04424	Homo sapiens
MMDBp0192352	Fumarylacetoacetase	Unknown	P16930	Homo sapiens
MMDBp0192481	Fumarate hydratase, mitochondrial	Enzyme	P07954	Homo sapiens
MMDBp0192482	NAD-dependent malic enzyme, mitochondrial	Unknown	P23368	Homo sapiens
MMDBp0194157	Fumarate hydratase	Enzyme	B1ANK7	Homo sapiens
MMDBp0194449	Acylpyruvase FAHD1, mitochondrial	Unknown	Q6P587	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank
Immunometabolism Pathway (Bacterial Activation)
Immunometabolism Pathway (Viral Activation)
Viral Sepsis

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000242	Adenylsuccinic acid	Fumaric acid	adenylosuccinate lyase	VMH	1302001 2004782
MMDBr0000243	SAICAR	AICAR	adenylosuccinate lyase	VMH	1302001 2004782
MMDBr0001247	4-Fumarylacetoacetic acid	Acetoacetic acid	Not Available	VMH; KEGG	30371894
MMDBr0001248	Fumaric acid	(S)-malate(2-)	fumarate hydratase	VMH; KEGG	16774737 17111171 17111172
MMDBr0002184	Succinic acid	Fumaric acid	succinate dehydrogenase complex, subunit A, flavoprotein (Fp)	VMH; KEGG	30371894
MMDBr0002577	Ubiquinone-1	Fumaric acid	succinate dehydrogenase complex, subunit A, flavoprotein (Fp)	VMH	2843227
MMDBr0007249	Adenylsuccinic acid	Fumaric acid	Not Available	VMH; KEGG	30371894
MMDBr0007250	SAICAR	AICAR	Not Available	VMH	30371894
MMDBr0007273	L-Aspartic acid	Fumaric acid	Not Available	VMH; KEGG	30371894
MMDBr0007407	Fumaric acid	MK-8	Not Available	VMH	30371894
MMDBr0007408	2-Demethylmenaquinol 8	2-Demethylmenaquinone 8	Not Available	VMH	30371894
MMDBr0007412	Fumaric acid	(S)-malate(2-)	Not Available	VMH; KEGG	30371894
MMDBr0007573	Succinic acid	Fumaric acid	Not Available	VMH	30371894
MMDBr0007657	4,5-Dihydroorotic acid	Orotic acid	Not Available	VMH	30371894
MMDBr0007722	Argininosuccinic acid	L-Arginine	Not Available	VMH; KEGG	30371894
MMDBr0007942	Fumaric acid	Protoporphyrin IX	Not Available	VMH	30371894
MMDBr0008050	L-Aspartic acid	Iminoaspartate	Not Available	VMH	30371894
MMDBr0008536	Succinic acid	Fumaric acid	Not Available	VMH	30371894
MMDBr0010259	L-Aspartic acid	Fumaric acid	fumarate hydratase	VMH	30371894
MMDBr0010895	MK-8	Fumaric acid	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
2-ketoglutarate dehydrogenase complex deficiency	Increased	Association	Human Urine	HMDB	1640293
Alzheimer's disease		Association	Human Cerebrospinal Fluid (CSF)	HMDB	9693263
Fumarase deficiency	Increased	Association	Human Urine	HMDB	24182348
Fumarase deficiency	Increased	Association	Human Urine	HMDB	26078636
Fumarase deficiency	Increased	Association	Human Urine	HMDB	6616883
Fumarase deficiency		Association	Human Urine	HMDB	16972175
Lung cancer	Slight Decrease	Association	Human Urine	HMDB	18953024
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	Spirochaetes	3	Human feces	Microbial culture; Metabolic reconstruction
Bacteria	Proteobacteria	383	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human subgingival plaque	Microbial culture; Metabolic reconstruction
Bacteria	Firmicutes	512	Human ; Human feces; Human stool; Human pleural fluid plaque; Pig ; Human sputum; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human unknown	Microbial culture; Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Thermodesulfobacteria	1		Microbial culture
Bacteria	Bacteroidetes	144	Human feces; Human stool; Human ; Human appendix biopsy; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Microbial culture; Metabolic reconstruction
Bacteria	Deferribacteres	1		Microbial culture
Bacteria	Ignavibacteriae	1	Human	Microbial culture
Bacteria	Chloroflexi	1		Microbial culture
Archaea	Euryarchaeota	6	Human feces; Human	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Actinobacteria	156	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Synergistetes	7	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	27	Human feces; Human	Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	6	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Spirulina	FooDB	31437929
Animal	Lota lota	FooDB	31437929
Animal	Porphyra umbilicalis	FooDB	31437929
Animal	Chondrus crispus	FooDB	31437929
Animal	Laminaria	FooDB	31437929
Animal	Strombidae	FooDB	31437929
Animal	Haliotis	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
Plant	Pouteria sapota	FooDB	31437929
Plant	Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant	Rubus ursinus x idaeus	FooDB	31437929
Plant	Prunus avium	FooDB	31437929
Plant	Camellia sinensis	FooDB	31437929
Plant	Phaseolus vulgaris	FooDB	31437929
Plant	Vicia faba	FooDB	31437929
Plant	Cirsium	FooDB	31437929
Plant	Dysphania ambrosioides	FooDB	31437929
Plant	Opuntia	FooDB	31437929
Plant	Piper nigrum	FooDB	31437929
Plant	Salix pulchra	FooDB	31437929
Plant	Daucus carota ssp. sativus	FooDB	31437929
Plant	Dioscorea	FooDB	31437929
Plant	Nuphar lutea	FooDB	31437929
Plant	Vaccinium ovatum	FooDB	31437929
Plant	Syzygium jambos	FooDB	31437929
Plant	Momordica charantia	FooDB	31437929
Plant	Thymus pulegioides	FooDB	31437929
Plant	Origanum vulgare	FooDB	31437929
Plant	Mespilus germanica	FooDB	31437929
Plant	Castanea	FooDB	31437929
Plant	Citrus maxima	FooDB	31437929
Plant	Brassica rapa var. perviridis	FooDB	31437929
Plant	Vitis vinifera	FooDB	31437929
Plant	Capsicum annuum	FooDB	31437929
Plant	Pleurotus ostreatus	FooDB	31437929
Plant	Colocasia esculenta	FooDB	31437929
Plant	Salvia elegans	FooDB	31437929
Plant	Mentha	FooDB	31437929
Plant	Anthriscus cerefolium	FooDB	31437929
Plant	Mentha aquatica	FooDB	31437929
Plant	Pachyrhizus erosus	FooDB	31437929
Plant	Phaseolus coccineus	FooDB	31437929
Plant	Ribes uva-crispa	FooDB	31437929
Plant	Cydonia oblonga	FooDB	31437929
Plant	Lupinus albus	FooDB	31437929
Plant	Cichorium endivia	FooDB	31437929
Plant	Myristica fragrans	FooDB	31437929
Plant	Elaeis	FooDB	31437929
Plant	Cinnamomum	FooDB	31437929
Plant	Feijoa sellowiana	FooDB	31437929
Plant	Solanum melongena	FooDB	31437929
Plant	Salvia officinalis	FooDB	31437929
Plant	Fagus	FooDB	31437929
Plant	Empetrum nigrum	FooDB	31437929
Plant	Myrica rubra	FooDB	31437929
Plant	Crocus sativus	FooDB	31437929
Plant	Vaccinium	FooDB	31437929
Plant	Sagittaria latifolia	FooDB	31437929
Plant	Tilia tomentosa	FooDB	31437929
Plant	Brassica oleracea var. italica	FooDB	31437929
Plant	Annona muricata	FooDB	31437929
Plant	Rheum rhabarbarum	FooDB	31437929
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant	Castanea sativa	FooDB	31437929
Plant	Lablab purpureus	FooDB	31437929
Plant	Syzygium cumini	FooDB	31437929
Plant	Typha angustifolia	FooDB	31437929
Plant	Opuntia cochenillifera	FooDB	31437929
Plant	Apium graveolens	FooDB	31437929
Plant	Cucurbita	FooDB	31437929
Plant	Tamarindus indica	FooDB	31437929
Plant	Angelica keiskei	FooDB	31437929
Plant	Cocos nucifera	FooDB	31437929
Plant	Hyssopus officinalis	FooDB	31437929
Plant	Valerianella locusta	FooDB	31437929
Plant	Vanilla	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Sambucus	FooDB	31437929
Plant	Borago officinalis	FooDB	31437929
Plant	Sisymbrium	FooDB	31437929
Plant	Pinus	FooDB	31437929
Plant	Vaccinium vitis-idaea	FooDB	31437929
Plant	Rubus spectabilis	FooDB	31437929
Plant	Scorzonera hispanica	FooDB	31437929
Plant	Olea europaea	FooDB	31437929
Plant	Physalis philadelphica var. immaculata	FooDB	31437929
Plant	Carya	FooDB	31437929
Plant	Psidium guajava	FooDB	31437929
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant	Cuminum cyminum	FooDB	31437929
Plant	Ipomoea aquatica	FooDB	31437929
Plant	Cantharellus cibarius	FooDB	31437929
Plant	Manihot esculenta	FooDB	31437929
Plant	Opuntia macrorhiza	FooDB	31437929
Plant	Raphanus sativus	FooDB	31437929
Plant	Daucus carota	FooDB	31437929
Plant	Morus nigra	FooDB	31437929
Plant	Beta vulgaris ssp. cicla	FooDB	31437929
Plant	Solanum tuberosum	FooDB	31437929
Plant	Prunus dulcis	FooDB	31437929
Plant	Illicium verum	FooDB	31437929
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant	Vigna radiata	FooDB	31437929
Plant	Allium cepa	FooDB	31437929
Plant	Allium sativum	FooDB	31437929
Plant		FooDB	31437929
Plant	Passiflora edulis	FooDB	31437929
Plant	Sinapis alba	FooDB	31437929
Plant	Juglans ailanthifolia	FooDB	31437929
Plant	Brassica ruvo	FooDB	31437929
Plant	Pinus edulis	FooDB	31437929
Plant	Fragaria x ananassa	FooDB	31437929
Plant	Musa x paradisiaca	FooDB	31437929
Plant	Apium graveolens var. secalinum	FooDB	31437929
Plant	Auricularia auricula-judae	FooDB	31437929
Plant	Polygonum alpinum	FooDB	31437929
Plant	Rubus idaeus	FooDB	31437929
Plant	Chamaemelum nobile	FooDB	31437929
Plant	Arachis hypogaea	FooDB	31437929
Plant	Melissa officinalis	FooDB	31437929
Plant	Hippophae rhamnoides	FooDB	31437929
Plant	Pyrus communis	FooDB	31437929
Plant	Manilkara zapota	FooDB	31437929
Plant	Sambucus nigra	FooDB	31437929
Plant	Abelmoschus esculentus	FooDB	31437929
Plant	Moringa oleifera	FooDB	31437929
Plant	Auricularia polytricha	FooDB	31437929
Plant	Vigna angularis	FooDB	31437929
Plant	Rubus arcticus	FooDB	31437929
Plant	Malus	FooDB	31437929
Plant	Solanum lycopersicum	FooDB	31437929
Plant	Laurus nobilis	FooDB	31437929
Plant	Corylus	FooDB	31437929
Plant	Juglans	FooDB	31437929
Plant	Cucurbita pepo var. clypeata	FooDB	31437929
Plant	Rumex articus	FooDB	31437929
Plant	Ribes aureum var. villosum	FooDB	31437929
Plant	Mentha spicata	FooDB	31437929
Plant	Mangifera indica	FooDB	31437929
Plant	Pediomelum esculentum	FooDB	31437929
Plant	Chrysanthemum coronarium	FooDB	31437929
Plant	Eleocharis dulcis	FooDB	31437929
Plant	Attalea speciosa	FooDB	31437929
Plant	Helianthus annuus	FooDB	31437929
Plant	Brassica juncea	FooDB	31437929
Plant	Eruca vesicaria ssp. sativa	FooDB	31437929
Plant	Pimenta dioica	FooDB	31437929
Plant	Petroselinum crispum	FooDB	31437929
Plant	Vaccinium corymbosum	FooDB	31437929
Plant	Ribes nigrum	FooDB	31437929
Plant	Metroxylon sagu	FooDB	31437929
Plant	Camellia oleifera	FooDB	31437929
Plant	Zingiber officinale	FooDB	31437929
Plant	Thymus vulgaris	FooDB	31437929
Plant	Hibiscus sabdariffa	FooDB	31437929
Plant	Vitis rotundifolia	FooDB	31437929
Plant	Pisum sativum	FooDB	31437929
Plant	Origanum majorana	FooDB	31437929
Plant	Morus	FooDB	31437929
Plant	Actinidia chinensis	FooDB	31437929
Plant	Medicago sativa	FooDB	31437929
Plant	Benincasa hispida	FooDB	31437929
Plant	Vitis labrusca	FooDB	31437929
Plant	Canarium ovatum	FooDB	31437929
Plant	Myrica	FooDB	31437929
Plant	Agaricus bisporus	FooDB	31437929
Plant	Spinacia oleracea	FooDB	31437929
Plant	Carica papaya	FooDB	31437929
Plant	Cyathea	FooDB	31437929
Plant	Cajanus cajan	FooDB	31437929
Plant	Vigna unguiculata	FooDB	31437929
Plant	Cynara scolymus	FooDB	31437929
Plant	Vaccinium angustifolium	FooDB	31437929
Plant	Armoracia rusticana	FooDB	31437929
Plant	Brassica oleracea var. gongylodes	FooDB	31437929
Plant	Vigna mungo	FooDB	31437929
Plant	Artemisia vulgaris	FooDB	31437929
Plant	Cucumis metuliferus	FooDB	31437929
Plant	Juglans cinerea	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Nephelium lappaceum	FooDB	31437929
Plant	Psidium cattleianum	FooDB	31437929
Plant	Arctium lappa	FooDB	31437929
Plant	Foeniculum vulgare	FooDB	31437929
Plant	Artocarpus altilis	FooDB	31437929
Plant	Castanea mollissima	FooDB	31437929
Plant	Phytolacca americana	FooDB	31437929
Plant	Vaccinium macrocarpon	FooDB	31437929
Plant	Prunus persica	FooDB	31437929
Plant	Brassica oleracea var. gemmifera	FooDB	31437929
Plant	Tetragonia tetragonioides	FooDB	31437929
Plant	Brosimum alicastrum	FooDB	31437929
Plant	Thelesperma	FooDB	31437929
Plant	Vaccinium elliottii	FooDB	31437929
Plant	Lentinus edodes	FooDB	31437929
Plant	Citrus x paradisi	FooDB	31437929
Plant	Rosmarinus officinalis	FooDB	31437929
Plant	Phoenix dactylifera	FooDB	31437929
Plant	Levisticum officinale	FooDB	31437929
Plant	Corylus avellana	FooDB	31437929
Plant	Chamerion angustifolium	FooDB	31437929
Plant	Prunus cerasus	FooDB	31437929
Plant	Lepidium sativum	FooDB	31437929
Plant	Malpighia emarginata	FooDB	31437929
Plant	Ziziphus zizyphus	FooDB	31437929
Plant	Castanea crenata	FooDB	31437929
Plant	Physalis	FooDB	31437929
Plant	Pangium edule	FooDB	31437929
Plant	Matricaria recutita	FooDB	31437929
Plant	Helianthus tuberosus	FooDB	31437929
Plant	Grifola frondosa	FooDB	31437929
Plant	Litchi chinensis	FooDB	31437929
Plant	Quercus	FooDB	31437929
Plant	Hedysarum alpinum	FooDB	31437929
Plant	Ficus carica	FooDB	31437929
Plant	Cynara cardunculus	FooDB	31437929
Plant	Apium graveolens var. dulce	FooDB	31437929
Plant	Beta vulgaris var. rubra	FooDB	31437929
Plant	Dimocarpus longan	FooDB	31437929
Plant	Capsicum baccatum var. baccatum	FooDB	31437929
Plant		FooDB	31437929
Plant	Trigonella foenum-graecum	FooDB	31437929
Plant	Juglans regia	FooDB	31437929
Plant	Capsicum pubescens	FooDB	31437929
Plant	Pimpinella anisum	FooDB	31437929
Plant	Brassica oleracea var. sabauda	FooDB	31437929
Plant	Vigna aconitifolia	FooDB	31437929
Plant	Vitis aestivalis	FooDB	31437929
Plant	Brassica napus	FooDB	31437929
Plant	Xanthosoma sagittifolium	FooDB	31437929
Plant	Eugenia javanica	FooDB	31437929
Plant	Salvia hispanica	FooDB	31437929
Plant	Citrus aurantiifolia	FooDB	31437929
Plant	Vaccinium stamineum	FooDB	31437929
Plant	Crateva religiosa	FooDB	31437929
Plant	Brassica alboglabra	FooDB	31437929
Plant	Agave	FooDB	31437929
Plant	Mentha arvensis	FooDB	31437929
Plant	Artemisia dracunculus	FooDB	31437929
Plant	Asparagus officinalis	FooDB	31437929
Plant	Mammea americana	FooDB	31437929
Plant	Byrsonima crassifolia	FooDB	31437929
Plant	Brassica oleracea var. viridis	FooDB	31437929
Plant	Grataegosorbus mitschurinii	FooDB	31437929
Plant	Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant	Vitellaria paradoxa	FooDB	31437929
Plant	Allium	FooDB	31437929
Plant	Annona squamosa	FooDB	31437929
Plant	Lactuca sativa	FooDB	31437929
Plant	Basella alba	FooDB	31437929
Plant	Eragrostis tef	FooDB	31437929
Plant	Diospyros	FooDB	31437929
Plant	Punica granatum	FooDB	31437929
Plant	Amaranthus	FooDB	31437929
Plant	Origanum x majoricum	FooDB	31437929
Plant	Pistacia vera	FooDB	31437929
Plant	Beta vulgaris	FooDB	31437929
Plant		FooDB	31437929
Plant	Gossypium	FooDB	31437929
Plant		FooDB	31437929
Plant	Vitis	FooDB	31437929
Plant	Citrus latifolia	FooDB	31437929
Plant	Carya illinoinensis	FooDB	31437929
Plant	Ribes x nidigrolaria	FooDB	31437929
Plant	Rubus chamaemorus	FooDB	31437929
Plant	Eugenia uniflora	FooDB	31437929
Plant	Citrullus lanatus var. fistulosus	FooDB	31437929
Plant	Allium tuberosum	FooDB	31437929
Plant	Diospyros virginiana	FooDB	31437929
Plant	Lathyrus sativus	FooDB	31437929
Plant	Psophocarpus tetragonolobus	FooDB	31437929
Plant	Ribes rubrum	FooDB	31437929
Plant	Tragopogon porrifolius	FooDB	31437929
Plant	Brassica rapa var. chinensis	FooDB	31437929
Plant	Portulaca oleracea	FooDB	31437929
Plant	Rubus x loganobaccus	FooDB	31437929
Plant	Rumex	FooDB	31437929
Plant	Cinnamomum aromaticum	FooDB	31437929
Plant	Gaylussacia baccata	FooDB	31437929
Plant	Ipomoea batatas	FooDB	31437929
Plant	Garcinia mangostana	FooDB	31437929
Plant	Allium ampeloprasum	FooDB	31437929
Plant	Chenopodium album	FooDB	31437929
Plant	Cucumis sativus	FooDB	31437929
Plant	Sesbania bispinosa	FooDB	31437929
Plant	Curcuma longa	FooDB	31437929
Plant	Malus pumila	FooDB	31437929
Plant	Annona reticulata	FooDB	31437929
Plant	Cucurbita maxima	FooDB	31437929
Plant	Sechium edule	FooDB	31437929
Plant	Brassica oleracea	FooDB	31437929
Plant	Elettaria cardamomum	FooDB	31437929
Plant	Amelanchier alnifolia	FooDB	31437929
Plant	Pastinaca sativa	FooDB	31437929
Plant	Taraxacum officinale	FooDB	31437929
Plant		FooDB	31437929
Plant	Petasites japonicus	FooDB	31437929
Plant	Vaccinium myrtilloides	FooDB	31437929
Plant	Allium ascalonicum	FooDB	31437929
Plant	Lactuca sativa l. var. longifolia	FooDB	31437929
Plant	Matteuccia struthiopteris	FooDB	31437929
Plant	Brassica oleracea var. conica	FooDB	31437929
Plant	Dioscorea pentaphylla	FooDB	31437929
Plant	Tilia	FooDB	31437929
Plant	Cinnamomum verum	FooDB	31437929
Plant	Prunus tomentosa	FooDB	31437929
Plant	Lippia graveolens	FooDB	31437929
Plant	Persea americana	FooDB	31437929
Plant	Corchorus olitorius	FooDB	31437929
Plant	Brassica oleracea var. botrytis	FooDB	31437929
Plant	Chenopodium quinoa	FooDB	31437929
Plant	Cichorium intybus	FooDB	31437929
Plant	Vaccinium deliciosum	FooDB	31437929
Plant	Maranta arundinacea	FooDB	31437929
Plant	Cucumis melo	FooDB	31437929
Plant	Ananas comosus	FooDB	31437929
Plant	Juglans nigra	FooDB	31437929
Plant	Rosa	FooDB	31437929
Plant	Mentha x piperita	FooDB	31437929
Plant	Nelumbo	FooDB	31437929
Plant	Cucurbita moschata	FooDB	31437929
Plant	Macadamia tetraphylla	FooDB	31437929
Plant	Macadamia	FooDB	31437929
Plant	Capparis spinosa	FooDB	31437929
Plant	Apium graveolens var. rapaceum	FooDB	31437929
Plant	Papaver	FooDB	31437929
Plant	Prunus virginiana	FooDB	31437929
Plant	Ocimum basilicum	FooDB	31437929
Plant	Capsicum annuum var. annuum	FooDB	31437929
Plant	Sorbus aucuparia	FooDB	31437929
Plant	Brassica rapa var. pekinensis	FooDB	31437929
Plant	Citrus limon	FooDB	31437929
Plant	Carissa macrocarpa	FooDB	31437929
Plant	Brassica oleracea var. costata	FooDB	31437929
Plant	Panax	FooDB	31437929
Plant	Annona cherimola	FooDB	31437929
Plant	Brassica rapa	FooDB	31437929
Plant	Prunus	FooDB	31437929
Plant	Satureja hortensis	FooDB	31437929
Plant	Sesamum orientale	FooDB	31437929
Plant	Vigna umbellata	FooDB	31437929
Plant	Rubus occidentalis	FooDB	31437929
Plant	Allium fistulosum	FooDB	31437929
Plant	Capsicum	FooDB	31437929
Plant	Lagenaria siceraria	FooDB	31437929
Plant	Artocarpus heterophyllus	FooDB	31437929
Plant	Glycine max	FooDB	31437929
Plant	Lupinus	FooDB	31437929
Plant	Tilia cordata	FooDB	31437929
Plant	Phaseolus lunatus	FooDB	31437929
Plant	Musa acuminata	FooDB	31437929
Plant	Lens culinaris	FooDB	31437929
Plant	Ribes glandulosum	FooDB	31437929
Plant	Luffa aegyptiaca	FooDB	31437929
Plant	Cymbopogon citratus	FooDB	31437929
Plant	Vaccinium alaskaense	FooDB	31437929
Plant	Verbena officinalis	FooDB	31437929
Plant	Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant	Citrus sinensis	FooDB	31437929
Plant	Durio zibethinus	FooDB	31437929
Plant	Vaccinium oxycoccos	FooDB	31437929
Plant	Phyllostachys edulis	FooDB	31437929
Plant	Linum usitatissimum	FooDB	31437929
Plant	Aloysia triphylla	FooDB	31437929
Plant	Vaccinium parvifolium	FooDB	31437929
Plant	Carum carvi	FooDB	31437929
Plant	Allium schoenoprasum	FooDB	31437929
Plant	Capsicum chinense	FooDB	31437929
Plant	Citrullus lanatus	FooDB	31437929
Plant	Averrhoa carambola	FooDB	31437929
Plant	Nelumbo nucifera	FooDB	31437929
Plant	Prunus armeniaca	FooDB	31437929
Plant	Prunus domestica	FooDB	31437929
Plant	Bertholletia excelsa	FooDB	31437929
Plant	Citrus reticulata	FooDB	31437929
Plant	Ceratonia siliqua	FooDB	31437929
Plant	Brassica rapa var. rapa	FooDB	31437929
Plant	Coriandrum sativum	FooDB	31437929
Plant	Anethum graveolens	FooDB	31437929
Plant	Vaccinium reticulatum	FooDB	31437929
Plant	Satureja montana	FooDB	31437929
Plant	Vaccinium arboreum	FooDB	31437929
Plant	Solanum quitoense	FooDB	31437929
Plant	Carthamus tinctorius	FooDB	31437929
Plant	Origanum onites	FooDB	31437929
Plant	Cicer arietinum	FooDB	31437929
Plant	Oenothera biennis	FooDB	31437929
Plant	Prunus persica var. nucipersica	FooDB	31437929
Plant	Anacardium occidentale	FooDB	31437929
Plant	Perideridia oregana	FooDB	31437929
Plant	Brassica napus var. pabularia	FooDB	31437929
Plant	Wasabia japonica	FooDB	31437929
Plant	Eriobotrya japonica	FooDB	31437929
Plant	Diospyros kaki	FooDB	31437929
Plant	Virola surinamensis	FooDB	31437929
Plant	Vaccinium uliginosum	FooDB	31437929
Plant	Viburnum edule	FooDB	31437929
Plant		FooDB	31437929
Plant	Rumex acetosa	FooDB	31437929
Plant	Theobroma cacao	FooDB	31437929
Plant	Citrus japonica	FooDB	31437929
Plant	Pyrus pyrifolia	FooDB	31437929
Plant	Raphanus sativus var. sativus	FooDB	31437929
Plant	Brassica oleracea var. capitata	FooDB	31437929
Plant	Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant	Prunus persica var. persica	FooDB	31437929
Plant	Theobroma grandiflorum	FooDB	31437929
Plant	Vaccinium myrtillus	FooDB	31437929
Plant	Flammulina velutipes	FooDB	31437929
Plant	Syzygium aromaticum	FooDB	31437929
Plant	Raphanus sativus var. niger	FooDB	31437929
Plant	Ginkgo biloba	FooDB	31437929
Plant	Photinia melanocarpa	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			17	124	umol/mmol creatinine	Infant (0-1 year old)	Male	2-Ketoglutarate dehydrogenase complex deficiency	HMDB	1640293
Human Cerebrospinal fluid (csf)	Detected and Quantified	11.0		2.00	20.0	uM	Elderly (>65 years old)	Both	Alzheimer's disease	HMDB	9693263
Human Urine	Detected and Quantified			0	14.611	umol/mmol creatinine	Infant (0-1 year old)	Both	Amish lethal microcephaly	HMDB	12376931
Human Urine	Detected and Quantified	482.3				umol/mmol creatinine	Infant (0-1 year old)	Male	Fumarase deficiency	HMDB	24182348
Human Urine	Detected and Quantified	2269.534				umol/mmol creatinine	Infant (0-1 year old)	Male	Fumarase deficiency	HMDB	26078636
Human Urine	Detected and Quantified			151	772	umol/mmol creatinine	Adult (>18 years old)	Both	Fumaric aciduria	HMDB	6616883
Human Urine	Detected and Quantified			217	445	umol/mmol creatinine	Children (1 - 13 years old)	Female	Fumaric aciduria	HMDB	16972175
Human Urine	Detected and Quantified			313.400	493.200	umol/mmol creatinine	Infant (0-1 year old)	Male	Fumarase deficiency	HMDB	24182348
Human Urine	Detected and Quantified	48				umol/mmol creatinine	Children (1-13 years old)	Male	Lipoyltransferase 1 Deficiency	HMDB	24341803
Human Urine	Detected and Quantified	0.7		0.0	4.0	umol/mmol creatinine	Adult (>18 years old)	Both	Lung cancer	HMDB	18953024
Human Urine	Detected and Quantified	0.2				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	21388201
Human Cerebrospinal fluid (csf)	Detected and Quantified	1				uM	Children (1-13 years old)	Both	Normal	HMDB	8412012
Human Sweat	Detected and Quantified	10				uM	Adult (40 years old)	Male	Normal	HMDB	22194922
Human Urine	Detected and Quantified	<14				umol/mmol creatinine	Not Specified	Not Specified	Normal	HMDB	1640293
Human Urine	Detected and Quantified	<25				umol/mmol creatinine	Infant (0-1 year old)	Male	Normal	HMDB	24182348
Human Urine	Detected and Quantified	<7				umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	24341803
Human Urine	Detected and Quantified	<97.405				umol/mmol creatinine	Infant (0-1 year old)	Male	Normal	HMDB	26078636
Human Urine	Detected and Quantified			0	1.5	umol/mmol creatinine	Infant (0-1 year old)	Female	Normal	HMDB	31963255
Human Urine	Detected and Quantified			0	2.0	umol/mmol creatinine	Infant (0-1 year old)	Male	Normal	HMDB	31963255
Human Urine	Detected and Quantified	0.1		0.1	1.7	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified			0.1	0.4	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15992788
Human Urine	Detected and Quantified			0.15	5.69	umol/mmol creatinine	Infant (0-1 year old)	Male	Normal	HMDB	31963255
Human Urine	Detected and Quantified	0.4		0.2	0.8	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	2702744
Human Urine	Detected and Quantified	0.5		0.1	1.7	umol/mmol creatinine	Adolescent (13-18 years old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	0.7		0.2	1.7	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified			0.75	1.2	umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	27012787
Human Urine	Detected and Quantified			0.80	1.8	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	27012787
Human Urine	Detected and Quantified	0.95	0.93			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	2026685
Human Urine	Detected and Quantified			1.2	4.3	umol/mmol creatinine	Infant (0-1 year old)	Female	Normal	HMDB	31963255
Human Blood	Detected and Quantified	1.5		0.0	4.0	uM	Adult (>18 years old)	Both	Normal	HMDB	8412012
Human Urine	Detected and Quantified			1.900	8.600	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	6616883
Human Urine	Detected and Quantified			1.948	11.689	umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	12376931
Human Sweat	Detected and Quantified			10	40	uM	Adult (60 years old)	Male	Normal	HMDB	22194922
Human Urine	Detected and Quantified	10.4		2.8	53.7	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	10.7		0.1	28.2	umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	13.27	7.27			umol/mmol creatinine	Newborn (0-30 days old)	Male	Normal	HMDB	32340350
Human Urine	Detected and Quantified	15,80	11.61			umol/mmol creatinine	Newborn (0-30 days old)	Female	Normal	HMDB	32340350
Human Urine	Detected and Quantified			2	40	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	31506554
Human Urine	Detected and Quantified			2.09	37.66	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	32340350
Human Breast milk	Detected and Quantified	2.4	1.5			uM	Adult (>18 years old)	Female	Normal	HMDB	24027187
Human Urine	Detected and Quantified			20	50	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	25012580
Human Cerebrospinal fluid (csf)	Detected and Quantified	33.0		9.00	57.0	uM	Adult (>18 years old)	Both	Normal	HMDB	9693263
Human Feces	Detected and Quantified	84.430	50.830			nmol/g wet feces	Not Specified	Not Specified	Normal	HMDB	20669995
Human Urine	Detected and Quantified	11.39	28.464			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	1.342	1.317			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	<10.25				umol/mmol creatinine	Children (1 - 18 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			0.49	1.4	uM	Infant (0-1 year old)	Both	Normal	HMDB	Physician's Guide to the Laboratory Diagnosis of Metabolic Diseases. 2nd ed. Berlin, Germany, Springer, 2003
Human Saliva	Detected and Quantified	0.707	0.303			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.778	1.07			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.798	0.396			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.997	0.492			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	1.95	0.66			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
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 Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	12097436
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	18052033
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	18085514
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)	Both	Normal	HMDB	21330412
Human Feces	Detected but not Quantified						Infant (0-1 year old)	Both	Normal	HMDB	22411374
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25670064
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27065191
Human Feces	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	27622378
Human Sweat	Detected but not Quantified						Adult	Both	Normal	HMDB	26755145
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	25985090
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

HMDB0000134

DrugBank ID

DB01677

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

18012

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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 ]
Redjems-Bennani N, Jeandel C, Lefebvre E, Blain H, Vidailhet M, Gueant JL: Abnormal substrate levels that depend upon mitochondrial function in cerebrospinal fluid from Alzheimer patients. Gerontology. 1998;44(5):300-4. doi: 10.1159/000022031. [PubMed:9693263 ]
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 ]
Hoffmann GF, Meier-Augenstein W, Stockler S, Surtees R, Rating D, Nyhan WL: Physiology and pathophysiology of organic acids in cerebrospinal fluid. J Inherit Metab Dis. 1993;16(4):648-69. doi: 10.1007/BF00711898. [PubMed:8412012 ]
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 ]
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 Fumaric acid (MMDBc0000039)

MOL for #<Metabolite:0x00007f46ccbc6d20>

3D MOL for #<Metabolite:0x00007f46ccbc6d20>

3D SDF for #<Metabolite:0x00007f46ccbc6d20>

3D-SDF for #<Metabolite:0x00007f46ccbc6d20>

PDB for #<Metabolite:0x00007f46ccbc6d20>

3D PDB for #<Metabolite:0x00007f46ccbc6d20>

SMILES for #<Metabolite:0x00007f46ccbc6d20>

INCHI for #<Metabolite:0x00007f46ccbc6d20>

Structure for #<Metabolite:0x00007f46ccbc6d20>

3D Structure for #<Metabolite:0x00007f46ccbc6d20>