Metabolite List

metabolites which its exact mass nearly 173.9986796 with tolerance error 0.01 da.

Aryl sulfate (BioCAD00000006823)
Formula: C6H6O4S (Exact Mass: 173.9987)

Phenyl hydrogen sulfate is an aryl sulfate that is phenol bearing an O-sulfo substituent. It has a role as a human xenobiotic metabolite. It is functionally related to a phenol. It is a conjugate acid of a phenyl sulfate. Aryl sulfate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Phenyl hydrogen sulfate is a natural product found in Trypanosoma brucei with data available.

p-Phenolsulfonic acid (BioCAD00000015788)
Formula: C6H6O4S (Exact Mass: 173.9987)

An arenesulfonic acid that is phenol substituted by a sulfo group at C-4." []

microbial natural products
Phenolic phosphate (BioCAD00000016141)
Formula: C6H7O4P (Exact Mass: 174.0082)

An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol." []

blood
Phenylsulfate (BioCAD00000016191)
Formula: C6H6O4S (Exact Mass: 173.9987)

Phenol sulphate, also known as phenylsulfate or aryl sulphate, belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfate group conjugated to a phenyl group. In normal humans, phenol sulphate is primarily a gut-derived metabolite that arises from the activity of the bacterial enzyme tyrosine phenol-lyase, which is responsible for the synthesis of phenol from dietary tyrosine (PMID: 31015435). Phenol sulphate can also arise from the consumption of phenol or from phenol poisoning (PMID: 473790). Phenol sulphate is produced from the conjugation of phenol with sulphate in the liver. In particular, phenol sulphate can be biosynthesized from phenol and phosphoadenosine phosphosulfate through the action of the enzyme sulfotransferase 1A1 in the liver. Phenol sulphate can be found in most mammals (mice, rats, sheep, dogs, humans) and likely most animals. Phenol sulphate is a uremic toxin (PMID: 30068866). It is a protein-bound uremic solute that induces reactive oxygen species (ROS) production and decreases glutathione levels, rendering cells vulnerable to oxidative stress (PMID: 29474405). In experimental models of diabetes, phenol sulphate administration has been shown to induce albuminuria and podocyte damage. In a diabetic patient cohort, phenol sulphate levels were found to significantly correlate with basal and predicted 2-year progression of albuminuria in patients with microalbuminuria (PMID: 31015435).

feces urine placenta
5-Fluoroorotic acid (BioCAD00000176608)
Formula: C5H3FN2O4 (Exact Mass: 174.0077)

blood
Phenyl phosphonothioate (BioCAD00000184236)
Formula: C6H7O2PS (Exact Mass: 173.9904)

blood
O-Phenolsulfonic acid (BioCAD00000231453)
Formula: C6H6O4S (Exact Mass: 173.9987)

Hydroxybenzenesulfonic acid (BioCAD00000232129)
Formula: C6H6O4S (Exact Mass: 173.9987)

3-hydroxybenzenesulfonic acid (BioCAD00000507577)
Formula: C6H6O4S (Exact Mass: 173.9987)

An arenesulfonic acid that is phenol substituted by a sulfo group at C-3." []

2-hydroxybenzenesulfonic acid (BioCAD00000507578)
Formula: C6H6O4S (Exact Mass: 173.9987)

An arenesulfonic acid that is phenol substituted by a sulfo group at C-2." []

3-Fluoroorotic acid (BioCAD00000696115)
Formula: C5H3FN2O4 (Exact Mass: 174.0077)

(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoate (BioCAD00000768752)
Formula: C6H5N1O3Cl1 (Exact Mass: 173.9958)

dithioholothin (BioCAD00000770209)
Formula: C5H6N2O1S2 (Exact Mass: 173.9922)

(2E,4E)-2-amino-5-chloro-6-oxohexa-2,4-dienoate (BioCAD00000774848)
Formula: C6H5N1O3Cl1 (Exact Mass: 173.9958)

Benzene (Oxidation, Sulfation) (BioCAD00000783406)
Formula: C6 H6 O4 S (Exact Mass: 173.9987)

1-CHLORO-2-(ORTHO-CHLOROPHENYL)-ETHANE (BioCAD00001340923)
Formula: C8H8Cl2 (Exact Mass: 174.0003)

S-Acetylmercaptosuccinic anhydride (BioCAD00001353936)
Formula: C6H6O4S (Exact Mass: 173.9987)

UNPD159395 (BioCAD00001640678)
Formula: C6H8NOS2 (Exact Mass: 174.0047)

(BioCAD00001900754)
Formula: C7H11Br (Exact Mass: 174.0044)