MiMeDB: Showing metabocard for 4-Hydroxybenzoic acid (MMDBc0000519)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:39:37 UTC

Update Date

2024-09-28 00:52:26 UTC

Metabolite ID

MMDBc0000519

Metabolite Identification

Common Name

4-Hydroxybenzoic acid

Description

4-Hydroxybenzoic acid, also known as p-hydroxybenzoate or 4-carboxyphenol, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. 4-Hydroxybenzoic acid is a white crystalline solid that is slightly soluble in water and chloroform but more soluble in polar organic solvents such as alcohols and acetone. It is a nutty and phenolic tasting compound. 4-Hydroxybenzoic acid exists in all living species, ranging from bacteria to plants to humans. 4-Hydroxybenzoic acid can be found naturally in coconut. It is one of the main catechins metabolites found in humans after consumption of green tea infusions. It is also found in wine, in vanilla, in A√ßa√≠ oil, obtained from the fruit of the a√ßa√≠ palm (Euterpe oleracea), at relatively high concetrations (892¬±52 mg/kg). It is also found in cloudy olive oil and in the edible mushroom Russula virescens. It has been detected in red huckleberries, rabbiteye blueberries, and corianders and in a lower concentration in olives, red raspberries, and almonds. In humans, 4-hydroxybenzoic acid is involved in ubiquinone biosynthesis. In particular, the enzyme 4-hydroxybenzoate polyprenyltransferase uses a polyprenyl diphosphate and 4-hydroxybenzoate to produce diphosphate and 4-hydroxy-3-polyprenylbenzoate. This enzyme participates in ubiquinone biosynthesis. 4-Hydroxybenzoic acid can be biosynthesized by the enzyme Chorismate lyase. Chorismate lyase is an enzyme that transforms chorismate into 4-hydroxybenzoate and pyruvate. This enzyme catalyses the first step in ubiquinone biosynthesis in Escherichia coli and other Gram-negative bacteria. 4-Hydroxybenzoate is an intermediate in many enzyme-mediated reactions in microbes. For instance, the enzyme 4-hydroxybenzaldehyde dehydrogenase uses 4-hydroxybenzaldehyde, NAD+ and H2O to produce 4-hydroxybenzoate, NADH and H+. This enzyme participates in toluene and xylene degradation in bacteria such as Pseudomonas mendocina. 4-hydroxybenzaldehyde dehydrogenase is also found in carrots. The enzyme 4-hydroxybenzoate 1-hydroxylase transforms 4-hydroxybenzoate, NAD(P)H, 2 H+ and O2 into hydroquinone, NAD(P)+, H2O and CO2. This enzyme participates in 2,4-dichlorobenzoate degradation and is found in Candida parapsilosis. The enzyme 4-hydroxybenzoate 3-monooxygenase transforms 4-hydroxybenzoate, NADPH, H+ and O2 into protocatechuate, NADP+ and H2O. This enzyme participates in benzoate degradation via hydroxylation and 2,4-dichlorobenzoate degradation and is found in Pseudomonas putida and Pseudomonas fluorescens. 4-Hydroxybenzoic acid is a popular antioxidant in part because of its low toxicity. 4-Hydroxybenzoic acid has estrogenic activity both in vitro and in vivo (PMID 9417843 ).

Structure

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

Synonyms

Value	Source
4-Carboxyphenol	ChEBI
p-HYDROXYBENZOIC ACID	ChEBI
p-Salicylic acid	ChEBI
Hydroxybenzoic acid	Kegg
Hydroxybenzenecarboxylic acid	Kegg
p-HYDROXYBENZOate	Generator
p-Salicylate	Generator
Hydroxybenzoate	Generator
Hydroxybenzenecarboxylate	Generator
4-Hydroxybenzoate	Generator
4-Hydroxy-benzoate	HMDB
4-Hydroxy-benzoesaeure	HMDB
4-Hydroxy-benzoic acid	HMDB
p-Carboxyphenol	HMDB
p-Hydroxy-benzoate	HMDB
p-Hydroxy-benzoic acid	HMDB
Paraben-acid	HMDB
4-Hydroxybenzoic acid, calcium salt	HMDB
4-Hydroxybenzoic acid, dilithium salt	HMDB
4-Hydroxybenzoic acid, disodium salt	HMDB
Para-hydroxybenzoic acid	HMDB
Sodium p-hydroxybenzoate tetrahydrate	HMDB
4-Hydroxybenzoic acid, copper(2+)(1:1) salt	HMDB
4-Hydroxybenzoic acid, dipotassium salt	HMDB
4-Hydroxybenzoic acid, monopotassium salt	HMDB
4-Hydroxybenzoic acid, monosodium salt	HMDB
4-Hydroxybenzoic acid, monosodium salt, 11C-labeled	HMDB
4-Hydroxybenzene carboxylic acid	HMDB
p-Hydroxyl benzoic acid	HMDB
4-Hydroxybenzoic acid	HMDB

Molecular Formula

C₇H₆O₃

Average Mass

138.122

Monoisotopic Mass

138.031694053

IUPAC Name

4-hydroxybenzoic acid

Traditional Name

P-hydroxybenzoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

InChI Key

FJKROLUGYXJWQN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Hydroxybenzoic acid derivatives

Alternative Parents

Substituents

Hydroxybenzoic acid
Benzoic acid
Benzoyl
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

monohydroxybenzoic acid (CHEBI:30763 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	11.9 g/L	ALOGPS
logP	1.58	ALOGPS
logP	1.33	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	4.38	ChemAxon
pKa (Strongest Basic)	-6.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	35.3 m³·mol⁻¹	ChemAxon
Polarizability	12.94 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)	splash10-01b9-0490000000-89473836b0071542185e	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)	splash10-00xu-2890000000-dd5367ba838ccd5b29d8	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)	splash10-00di-9540000000-11db590137f79b7a32bf	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (2 TMS)	splash10-00xu-3890000000-7e553522b6ec5c075e25	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-00dr-5900000000-9b1d88421f1e1ded16f9	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-00di-9700000000-a9bb4b71d8b23a56ca67	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0079-6900000000-617d58eb059c1e918ca0	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-00dr-4900000000-97bfa38b0d6bc152d470	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-00dr-7900000000-290af590b1fc44a86969	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-01b9-0490000000-d6001fb50397705d3e0b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-01b9-0490000000-89473836b0071542185e	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00xu-2890000000-dd5367ba838ccd5b29d8	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9540000000-11db590137f79b7a32bf	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00xu-3890000000-7e553522b6ec5c075e25	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00xu-2980000000-0ba0ea7d63bd7fff3b22	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0079-5900000000-fcde26d72ca8445dff7e	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00xu-7950000000-cc553d409cc2a872749d	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 (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, Negative (Annotated)	splash10-000f-9400000000-9fb9f8fbd7cf90a88604	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated)	splash10-0006-9000000000-f5d09d09184f72ec3bd7	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)	splash10-0006-9000000000-d31cea608d0764edf5d0	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - EI-B (HITACHI M-68) , Positive	splash10-00dr-5900000000-9b1d88421f1e1ded16f9	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - EI-B (HITACHI M-60) , Positive	splash10-00di-9700000000-3ac766249fee4c68b8f4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - EI-B (HITACHI M-80) , Positive	splash10-0079-6900000000-4e15a4102e0b3bc8ddce	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-0a4r-9800000000-9e7208bfb79f9cca336b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-0a4i-9000000000-1ed6d8123d44d126ed64	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-0a4i-9000000000-63a0e9c65e315bb89281	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-0a4i-9000000000-a8befcaa45eced4a9a51	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-0a4i-9000000000-26788d399f2b459abc21	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0072-6900000000-ba06f5c422d59cd10cea	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0002-9100000000-193fd4eb0cf324fb3abc	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0006-9200000000-c834f7be13341f3e19b8	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - DI-ESI-qTof , Positive	splash10-00di-0900000000-4f58e660923e896589a3	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0a4r-9800000000-9e7208bfb79f9cca336b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0a4i-9000000000-1ed6d8123d44d126ed64	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0a4i-9000000000-e80d9637393e63e2d07c	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0a4i-9000000000-a8befcaa45eced4a9a51	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0079-0900000000-6351b89d53d1742a1fbb	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-1900000000-bdd873f3d1dc0f2af556	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00fu-9400000000-37262c1edda5dec21a19	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-3900000000-fcd512c9827982e7c9aa	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000f-9600000000-36013030005316a50fab	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9100000000-5efa05442f95e2900559	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-00dr-6900000000-71548845dbf99346758d	2015-03-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 90 MHz, DMSO-d6, experimental)		2015-03-01	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25.16 MHz, D₂O, experimental)		2015-03-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, DMSO, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, DMSO, experimental)		2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C 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)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Mitochondria

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Feces
Saliva
Sweat
Urine

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo sapiens
MMDBp0193928	4-hydroxybenzoate polyprenyltransferase, mitochondrial	Enzyme	Q96H96	Homo sapiens
MMDBp0194143	Glycine N-acyltransferase	Enzyme	Q6IB77	Homo sapiens
MMDBp0197061	Sulfotransferase 1A3	Enzyme	P0DMM9	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000092	4-hydroxybenzoyl-CoA	4-Hydroxybenzoic acid	Not Available	VMH; KEGG	11583838 12232327
MMDBr0001419	4-Hydroxybenzoic acid	3-Decaprenyl-4-Hydroxybenzoate	coenzyme Q2 4-hydroxybenzoate polyprenyltransferase	VMH	15153069 1965190 7380842
MMDBr0006911	Chorismate	4-Hydroxybenzoic acid	Not Available	VMH	30371894
MMDBr0010417	4-hydroxybenzoyl-CoA	4-Hydroxybenzoic acid	Not Available	VMH; KEGG	30371894
MMDBr0010846	4-Hydroxybenzoic acid	Phenol	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Supradiaphragmatic malignancy		Association	Human Cerebrospinal Fluid (CSF)	HMDB	10553836
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)
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)
Colorectal cancer		Association	Human feces	HMDB	25037050
Colorectal cancer		Association	Human feces	HMDB	27015276
Eosinophilic esophagitis		Association	Human urine	HMDB
Ros production	reduces	Animal_model	Rat brain microdialysate	PubMed	11721740
Antioxidant		Cell culture	cerebellar granule neurons	PubMed	28740571
Antioxidant		Cell culture	cerebellar granule neurons	PubMed	28740571

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Verrucomicrobia	2	Human feces; Human stool; Human ; Human urine	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Firmicutes	402	Human stool; Human feces; Human pleural fluid plaque; Pig ; Human ; Human sputum; Human saliva; Human urine; Human supragingival plaque; Cattle ; Human subgingival plaque	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Proteobacteria	490	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; River trout ; Rat ; Turkey ; Chicken ; Human subgingival plaque	Metabolic reconstruction
Bacteria	Actinobacteria	143	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria	Bacteroidetes	189	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human subgingival plaque; Human urine; Human supragingival plaque	Metabolic reconstruction
Bacteria	Spirochaetes	2	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	2		Metabolic reconstruction
Bacteria	Fusobacteria	8	Human feces; Human	Metabolic reconstruction
Bacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	7		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	8	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Bacteria	Chlamydiae	1	Human
Bacteria	nah	1
Eukaryota/Fungi	Ascomycota	6	Human feces; Human saliva	Unknown
Archaea/Archaea	Euryarchaeota	3		Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal	Milk	Bos taurus	FooDB	29291809
Animal	Milk	Bos taurus	FooDB	28306241
Food			FooDB	Phenol Explorer
Food		Coffea arabica	FooDB	Phenol Explorer
Food		Coffea arabica	FooDB	Phenol Explorer
Food		Coffea canephora	FooDB	Phenol Explorer
Food		Coffea canephora	FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Maria Amargianitaki and Apostolos Spyros. NMR-based metabolomics in wine quality control and authentication. Amargianitaki and Spyros Chem. Biol. Technol. Agric. (2017) 4:9 DOI 10.1186/s40538-017-0092-x
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food	Beer	Barley	FooDB	Not Available
Food	Coffee	Coffea arabica	FooDB	Not Available
Food			FooDB	Phenol Explorer
Food			FooDB	3271892
Food			FooDB	Phenol Explorer
Food			FooDB	Dominik Szwajgier. Content of Individual Phenolic Acids in Worts and Beers and their Possible Contribution to the Antiradical Activity of Beer. J. Inst. Brew. 115(3), 2009, 243
Food			FooDB	12617582
Food	Cocoa products	Theobroma cacao	FooDB	Phenol Explorer
Plant		Tilia tomentosa	FooDB	Phenol Explorer
Plant		Salvia officinalis	FooDB	24285751
Plant	Oil	Olea europaea	FooDB	Phenol Explorer
Plant	Fruit	Pyrus communis	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium angustifolium x vaccinium corymbosum	FooDB	Phenol Explorer
Plant	Plant	Vaccinium corymbosum	FooDB	DUKE
Plant	Seed	Arachis hypogaea	FooDB	DUKE
Plant		Lens culinaris	FooDB	Phenol Explorer
Plant		Cuminum cyminum	FooDB	Phenol Explorer
Plant	Fruit	Rubus idaeus	FooDB	Phenol Explorer
Plant	Fruit	Rubus idaeus	FooDB	Phenol Explorer
Plant	Stem	Phoenix dactylifera	FooDB	DUKE
Plant	Fruit	Coriandrum sativum	FooDB	DUKE
Plant		Hyssopus officinalis	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium macrocarpon	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium macrocarpon	FooDB	Phenol Explorer
Plant		Thymus vulgaris	FooDB	Phenol Explorer
Plant	Leaves	Brassica oleracea var. italica	FooDB	DUKE
Plant	Seed	Cajanus cajan	FooDB	Phenol Explorer
Plant		Olea europaea	FooDB	PhytoHub
Plant		Fragaria x ananassa	FooDB	PhytoHub
Plant	Leaves	Rubus spectabilis	FooDB	DUKE
Plant	Root	Armoracia rusticana	FooDB	DUKE
Plant	Root	Beta vulgaris var. rubra	FooDB	DUKE
Plant	Fruit	Rubus idaeus	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant	Juice	Hippophae rhamnoides	FooDB	Phenol Explorer
Plant		Melissa officinalis	FooDB	Phenol Explorer
Plant		Foeniculum vulgare	FooDB	Phenol Explorer
Plant		Mentha spicata	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium corymbosum	FooDB	Phenol Explorer
Plant	Fruit	Phoenix dactylifera	FooDB	Phenol Explorer
Plant	Plant	Coriandrum sativum	FooDB	DUKE
Plant		Origanum majorana	FooDB	Phenol Explorer
Plant	Root	Daucus carota ssp. sativus	FooDB	Phenol Explorer
Plant		Origanum majorana	FooDB	Phenol Explorer
Plant	Root	Daucus carota ssp. sativus	FooDB	Phenol Explorer
Plant	Juice	Malus pumila	FooDB	Phenol Explorer
Plant	Root	Pisum sativum	FooDB	DUKE
Plant	Seed	Glycine max	FooDB	DUKE
Plant	Bulb	Allium sativum l. var. sativum	FooDB	DUKE
Plant		Rosmarinus officinalis	FooDB	Phenol Explorer
Plant		Rosmarinus officinalis	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium corymbosum	FooDB	Phenol Explorer
Plant	Seed	Vigna unguiculata	FooDB	Phenol Explorer
Plant	Sprout seedling	Linum usitatissimum	FooDB	DUKE
Plant	Fruit	Malus pumila	FooDB	Phenol Explorer
Plant	Fruit	Phoenix dactylifera	FooDB	Phenol Explorer
Plant	Leaves	Cichorium intybus	FooDB	DUKE
Plant	Fruit	Vaccinium myrtillus	FooDB	DUKE
Plant		Matricaria recutita	FooDB	Phenol Explorer
Plant	Plant	Prunus cerasus	FooDB	DUKE
Plant	Leaves	Artemisia dracunculus	FooDB	DUKE
Plant	Seed	Juglans nigra	FooDB	DUKE
Plant	Root	Phaseolus vulgaris	FooDB	DUKE
Plant		Vaccinium macrocarpon	FooDB	PhytoHub
Plant	Seed	Phaseolus lunatus	FooDB	Phenol Explorer
Plant	Leaves	Cocos nucifera	FooDB	DUKE
Plant		Pimpinella anisum	FooDB	Phenol Explorer
Plant	Fruit	Solanum melongena	FooDB	Phenol Explorer
Plant		Anethum graveolens	FooDB	Phenol Explorer
Plant	Fruit	Ribes nigrum	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant		Cicer arietinum	FooDB	Phenol Explorer
Plant	Fruit	Ribes rubrum	FooDB	DUKE
Plant		Coriandrum sativum	FooDB	Phenol Explorer
Plant	Leaves	Elettaria cardamomum	FooDB	DUKE
Plant	Leaves	Maranta arundinacea	FooDB	DUKE
Plant	Fruit	Fragaria x ananassa	FooDB	Phenol Explorer
Plant	Fruit	Fragaria x ananassa	FooDB	Phenol Explorer
Plant	Seed	Vicia faba	FooDB	Phenol Explorer
Plant	Fruit	Olea europaea	FooDB	DUKE
Plant	Fruit	Vaccinium virgatum	FooDB	Sellappan S, Akoh CC, Krewer G. Phenolic Compounds and Antioxidant Capacity of Georgia-Grown Blueberries and Blackberries. 2002. J. Agric. Food Chem. 2002, 50, 2432-2438
Plant	Fruit	Gaylussacia baccata	FooDB	Phenol Explorer
Plant	Oil	Glycine max	FooDB	Phenol Explorer
Plant	Root	Daucus carota ssp. sativus	FooDB	DUKE
Plant	Hull husk	Vitis vinifera	FooDB	DUKE
Plant	Fruit	Fragaria x ananassa	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant	Leaves	Origanum vulgare	FooDB	DUKE
Plant	Leaves	Anacardium occidentale	FooDB	DUKE
Plant	Fruit	Vaccinium deliciosum	FooDB	Phenol Explorer
Plant	Fruit	Solanum lycopersicum var. lycopersicum	FooDB	Phenol Explorer
Plant	Fruit	Solanum lycopersicum var. lycopersicum	FooDB	Phenol Explorer
Plant	Plant	Zingiber officinale	FooDB	DUKE
Plant	Fruit	Olea europaea	FooDB	Phenol Explorer
Plant		Eriobotrya japonica	FooDB	Phenol Explorer
Plant	Fruit	Olea europaea	FooDB	Phenol Explorer
Plant	Bulb	Allium cepa	FooDB	DUKE
Plant	Bean	Phaseolus vulgaris	FooDB	Phenol Explorer
Plant		Ocimum basilicum	FooDB	Phenol Explorer
Plant	Root	Daucus carota ssp. sativus	FooDB	Adrian J. Parr, Annie Ng, and Keith W. Waldron Ester-Linked Phenolic Components of Carrot Cell Walls. J. Agric. Food Chem., 1997, 45 (7), pp 2468-2471 DOI: 10.1021/jf960982k
Plant	Seed	Theobroma cacao	FooDB	DUKE
Plant	Leaves	Ginkgo biloba	FooDB	DUKE
Plant	Fruit	Vaccinium oxycoccos	FooDB	Phenol Explorer
Plant	Shoot	Vicia faba	FooDB	DUKE
Plant		Salvia officinalis	FooDB	Phenol Explorer
Plant		Lens culinaris	FooDB	Phenol Explorer
Plant	Fruit	Olea europaea	FooDB	Phenol Explorer
Plant	Fruit	Olea europaea	FooDB	Phenol Explorer
Plant		Vaccinium oxycoccos	FooDB	PhytoHub
Plant	Plant	Oenothera biennis	FooDB	DUKE
Plant	Fruit	Vaccinium ovalifolium	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium parvifolium	FooDB	Phenol Explorer
Plant	Fruit	Malus pumila	FooDB	DUKE
Plant	Plant	Cucumis melo	FooDB	DUKE
Plant		Prunus dulcis	FooDB	Phenol Explorer
Plant	Seed	Foeniculum vulgare	FooDB	DUKE
Plant	Fruit	Vaccinium uliginosum	FooDB	Phenol Explorer
Plant	Leaves	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant	Root	Daucus carota	FooDB	DUKE
Plant		Daucus carota ssp. sativus	FooDB	PhytoHub
Plant	Fruit	Vitis vinifera	FooDB	24285751
Plant	Leaves	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant	Juice	Rubus idaeus	FooDB	DUKE
Plant	Leaves	Glycine max	FooDB	DUKE
Plant	Fruit	Vaccinium ovatum	FooDB	Phenol Explorer
Plant	Seed	Helianthus annuus	FooDB	DUKE
Plant	Stem	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant		Petroselinum crispum	FooDB	Phenol Explorer
Plant		Broad bean	HMDB	34986597
Plant	Oil	Olea europaea	FooDB	Phenol Explorer
Plant		Mung bean	HMDB	34986597
Plant	Seed	Vigna radiata	FooDB	Phenol Explorer
Plant		Red raspberry	HMDB	34986597
Plant	Fruit	Citrus x paradisi	FooDB	Phenol Explorer
Plant		Cardamon	HMDB	34986597
Plant	Fruit	Citrus x paradisi	FooDB	Phenol Explorer
Plant		Red huckleberry	HMDB	34986597
Plant	Stem	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant	Seed	Pisum sativum	FooDB	Phenol Explorer
Plant	Plant	Thymus vulgaris	FooDB	DUKE

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Urine	Detected and Quantified	1.8		0.7	29	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	2702744
Human Urine	Detected and Quantified	1.5		0.1	2.8	umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	3		0.1	13.5	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	2		0.6	4.2	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	2.5		0.7	13.7	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	2.6		0.1	11.1	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	8087979
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.5	0.22			uM	Adult (>18 years old)	Both	Supradiaphragmatic malignancy	HMDB	10553836
Human Blood	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	12663291
Human Urine	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	12663291
Human Urine	Detected and Quantified	4.66	1.18			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	12663291
Human Blood	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	12771321
Human Urine	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	12771321
Human Urine	Detected and Quantified	1.8	1.8			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15992788
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	18085514
Human Feces	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	18502705
Human Blood	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	19333587
Human Urine	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	19333587
Human Blood	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	19415668
Human Urine	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	19415668
Human Feces	Detected and Quantified	5.43	4.416			nmol/g wet feces	Not Specified	Not Specified	Normal	HMDB	19573517
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	19573517
Human Blood	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	19671472
Human Urine	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	19671472
Human Blood	Detected and Quantified	2.387	0.158			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	20.885	18.445			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	2.73	0.226			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	2.423	0.19			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	2.676	0.168			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	2.326	0.221			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	2.599	0.232			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	2.447	0.192			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	1.717	0.196			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Hypertension (mild)	HMDB	20013882
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Hypertension (mild)	HMDB	20013882
Human Blood	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	20080030
Human Urine	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	20080030
Human Blood	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	20222713
Human Urine	Detected but not Quantified						NULL	NULL	Consuming polyphenols described by Phenol-Explorer entry 418	HMDB	20222713
Human Feces	Detected and Quantified	29.684	31.132			nmol/g wet feces	Not Specified	Not Specified	Normal	HMDB	20669995
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Feces	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	20809621
Human Feces	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	20809621
Human Feces	Detected and Quantified	6.516	5.647			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	8.326	10.136			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	4.996	4.923			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	5.358	5.575			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Urine	Detected and Quantified	2.4		1.3	3.6	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	1.7		0.9	3	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
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	24029555
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Colorectal cancer	HMDB	25037050
Human Feces	Detected but not Quantified						Not Specified	Both	Normal	HMDB	25486321
Human Sweat	Detected but not Quantified						Adult	Both	Normal	HMDB	26755145
Human Urine	Detected and Quantified			0.23	5.9	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	26814424
Human Urine	Detected and Quantified			0.39	0.75	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	27012787
Human Urine	Detected and Quantified			0.36	0.57	umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	27012787
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Colorectal cancer	HMDB	27015276
Human Urine	Detected and Quantified	1.291				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	27273479
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected and Quantified	1.441		0.203	12.069	nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	28029051
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Bladder cancer	HMDB	28157703
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27065191
Human Saliva	Detected and Quantified	30.23	31.32			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
Human Urine	Detected and Quantified	1.346	1.104			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	2.988	2.795			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	3.158	2.557			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Gastroesophageal reflux disease	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	2.751	2.414			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	8.201	12.712			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 Cerebrospinal fluid (csf)	Detected and Quantified	0.5	0.22			uM	Adult (>18 years old)	Both	Supradiaphragmatic malignancy	HMDB	10553836
Human Urine	Detected and Quantified	1.291				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	27273479
Human Urine	Detected and Quantified			0.230	5.900	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	26814424
Human Urine	Detected and Quantified			0.36	0.57	umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	27012787
Human Urine	Detected and Quantified			0.39	0.75	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	27012787
Human Feces	Detected and Quantified	1.441		0.203	12.0690	nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	28029051
Human Urine	Detected and Quantified	1.5		0.1	2.8	umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	1.7		0.9	3.0	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	1.717	0.196			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	1.8		0.7	29	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	2702744
Human Urine	Detected and Quantified	1.8	1.8			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15992788
Human Urine	Detected and Quantified	2.0		0.6	4.2	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	8087979
Human Blood	Detected and Quantified	2.326	0.221			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	2.387	0.158			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	2.4		1.3	3.6	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Blood	Detected and Quantified	2.423	0.19			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	2.447	0.192			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	2.5		0.7	13.7	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	8087979
Human Blood	Detected and Quantified	2.599	0.232			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	2.6		0.1	11.1	umol/mmol creatinine	Children (1-13 years old)	Both	Normal	HMDB	8087979
Human Blood	Detected and Quantified	2.676	0.168			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	2.73	0.226			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	20.885	18.445			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Feces	Detected and Quantified	29.684	31.132			nmol/g wet feces	Not Specified	Not Specified	Normal	HMDB	20669995
Human Urine	Detected and Quantified	3.0		0.1	13.5	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	8087979
Human Urine	Detected and Quantified	4.66	1.18			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	12663291
Human Feces	Detected and Quantified	4.996	4.923			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	5.358	5.575			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	5.430	4.416			nmol/g wet feces	Not Specified	Not Specified	Normal	HMDB	19573517
Human Feces	Detected and Quantified	6.516	5.647			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	8.326	10.136			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Urine	Detected and Quantified	2.988	2.795			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	8.201	12.712			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	1.346	1.104			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	2.751	2.414			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 Saliva	Detected and Quantified	30.23	31.32			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
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	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)	Male	Normal	HMDB	20809621
Human Feces	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	20809621
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	24029555
Human Feces	Detected but not Quantified						Not Specified	Both	Normal	HMDB	25486321
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27065191
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	18502705
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

HMDB0000500

DrugBank ID

DB04242

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

4-Hydroxybenzoic_acid

METLIN ID

5486

PubChem Compound

135

PDB ID

Not Available

ChEBI ID

30763

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Wiebe LI, Mercer JR, Ryan AJ: Urinary metabolites of 3,5-di-(1-[13C]methyl-1-methylethyl)4-hydroxytoluene (BHT-13C) in man. Drug Metab Dispos. 1978 May-Jun;6(3):296-302. [PubMed:26551 ]
Shibusawa H, Sano Y, Yamamoto T, Kambegawa A, Ohkawa T, Satoh N, Okinaga S, Arai K: A radioimmunoassay of serum 16alpha-hydroxypregnenolone with specific antiserum. Endocrinol Jpn. 1978 Apr;25(2):185-9. doi: 10.1507/endocrj1954.25.185. [PubMed:668632 ]
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 ]
Sakurai M, Ohsako M, Nagano M, Nakamura C, Tsuzuki O, Ichikawa M, Matsumoto Y: [Effect of human serum albumin on transport of drugs through human erythrocyte membranes]. Yakugaku Zasshi. 1996 Aug;116(8):630-8. doi: 10.1248/yakushi1947.116.8_630. [PubMed:8831264 ]
Soni MG, Burdock GA, Taylor SL, Greenberg NA: Safety assessment of propyl paraben: a review of the published literature. Food Chem Toxicol. 2001 Jun;39(6):513-32. doi: 10.1016/s0278-6915(00)00162-9. [PubMed:11346481 ]
Soni MG, Taylor SL, Greenberg NA, Burdock GA: Evaluation of the health aspects of methyl paraben: a review of the published literature. Food Chem Toxicol. 2002 Oct;40(10):1335-73. doi: 10.1016/s0278-6915(02)00107-2. [PubMed:12387298 ]
Peng X, Adachi K, Chen C, Kasai H, Kanoh K, Shizuri Y, Misawa N: Discovery of a marine bacterium producing 4-hydroxybenzoate and its alkyl esters, parabens. Appl Environ Microbiol. 2006 Aug;72(8):5556-61. doi: 10.1128/AEM.00494-06. [PubMed:16885309 ]
Rowland I, Gibson G, Heinken A, Scott K, Swann J, Thiele I, Tuohy K: Gut microbiota functions: metabolism of nutrients and other food components. Eur J Nutr. 2018 Feb;57(1):1-24. doi: 10.1007/s00394-017-1445-8. Epub 2017 Apr 9. [PubMed:28393285 ]
Kallscheuer N, Marienhagen J: Corynebacterium glutamicum as platform for the production of hydroxybenzoic acids. Microb Cell Fact. 2018 May 12;17(1):70. doi: 10.1186/s12934-018-0923-x. [PubMed:29753327 ]
Koistinen VM (2019). Publications of the University of Eastern Finland. Dissertations in Health Sciences., no 510. University of Eastern Finland.

Showing metabocard for 4-Hydroxybenzoic acid (MMDBc0000519)

MOL for #<Metabolite:0x00007fdb18ec4488>

3D MOL for #<Metabolite:0x00007fdb18ec4488>

3D SDF for #<Metabolite:0x00007fdb18ec4488>

3D-SDF for #<Metabolite:0x00007fdb18ec4488>

PDB for #<Metabolite:0x00007fdb18ec4488>

3D PDB for #<Metabolite:0x00007fdb18ec4488>

SMILES for #<Metabolite:0x00007fdb18ec4488>

INCHI for #<Metabolite:0x00007fdb18ec4488>

Structure for #<Metabolite:0x00007fdb18ec4488>

3D Structure for #<Metabolite:0x00007fdb18ec4488>