4-nitrocatechol sulfate profile

4-nitrocatechol sulfate: RN given refers to 2-sulfate moiety locant [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

2-hydroxy-5-nitrophenyl hydrogen sulfate : An aryl sulfate that is 4-nitrocatechol in which the hydroxy group that is meta to the nitro group has been converted into the corresponding hydrogen sulfate. It is used (commonly as its dipotassium salt) as a chromogenic substrate for sulphatase. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	165879
CHEBI ID	41733
SCHEMBL ID	4308319
MeSH ID	M0075821

Synonym
4-nitro-1,2-benzenediol, 2-(hydrogen sulfate)
10485-66-2
CSN ,
n,4-dihydroxy-n-oxo-3-(sulfooxy)benzenaminium
1PA9
2-hydroxy-5-nitrophenyl sulfate
p-nitrocatechol sulfate
4-nitrocatechol sulfate
2-hydroxy-5-nitrophenyl hydrogen sulfate
DB01800
para-nitrocatechol sulfate
hd9mhq536a ,
unii-hd9mhq536a
(2-hydroxy-5-nitrophenyl)oxidanesulfonic acid
1,2-benzenediol, 4-nitro-, 2-(hydrogen sulfate)
4-nitrocatechol 2-sulfate
nitrocatechol sulfate, p-
pyrocatechol, 4-nitro-, 2-(hydrogen sulfate)
5-nitrocatechol sulfate
SCHEMBL4308319
CHEBI:41733
sulfuric acid mono-(2-hydroxy-5-nitro-phenyl ester)
DTXSID50146785
Q27092941
EN300-26678052
PD008416

Role	Description
chromogenic compound	Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
4-nitrophenols	A mononitrophenol that is 4-nitrophenol and its derivatives resulting from substitution of one or more of the hydrogens attached to the benzene ring by a non-nitro group.
aryl sulfate
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Protein-tyrosine phosphatase yopH	Yersinia enterocolitica	Ki	25.0000	25.0000	25.0000	25.0000	AID977610
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Assay ID	Title	Year	Journal	Article
AID977610	Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB	2003	The Journal of biological chemistry, Aug-29, Volume: 278, Issue:35	Crystal structure of the Yersinia protein-tyrosine phosphatase YopH complexed with a specific small molecule inhibitor.
AID1811	Experimentally measured binding affinity data derived from PDB	2003	The Journal of biological chemistry, Aug-29, Volume: 278, Issue:35	Crystal structure of the Yersinia protein-tyrosine phosphatase YopH complexed with a specific small molecule inhibitor.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	13 (50.00)	18.7374
1990's	3 (11.54)	18.2507
2000's	6 (23.08)	29.6817
2010's	4 (15.38)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	3 (11.54%)	4.05%
Observational	0 (0.00%)	0.25%
Other	23 (88.46%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
catechol [no description available]	6.93	1	catechols	allelochemical; genotoxin; plant metabolite
4-nitrophenylphosphate nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid. 4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol.	2.07	1	aryl phosphate	mouse metabolite
glycine [no description available]	2.4	2	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	2.4	2	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	1.99	1	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	2.03	1	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
galactose galactopyranose : The pyranose form of galactose.	1.99	1	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.	1.95	1	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
asparagine Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.	2.01	1	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	2.03	1	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	2.01	1	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
enbucrilate Enbucrilate: A tissue adhesive that is applied as a monomer to moist tissue and polymerizes to form a bond. It is slowly biodegradable and used in all kinds of surgery, including dental.	2.1	1	alpha,beta-unsaturated monocarboxylic acid; nitrile
sodium sulfate [no description available]	1.96	1	inorganic sodium salt
silver nitrate Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM.	1.98	1	inorganic nitrate salt; silver salt	astringent
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2.01	1	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
4-nitrophenyl sulfate 4-nitrophenyl sulfate: RN given refers to parent cpd. 4-nitrophenyl hydrogen sulfate : An aryl sulfate the mono 4-nitrophenyl ester of sulfuric acid.. 4-nitrophenyl sulfate : An aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 4-nitrophenyl hydrogen sulfate. The major microspecies at pH 7.3.	1.95	1	aryl sulfate; C-nitro compound	human metabolite
4-methylumbelliferyl sulfate 4-methylumbelliferyl sulfate: RN given refers to parent cpd. 4-methylumbelliferone sulfate : A member of the class of coumarins that is umbelliferone sulfate which carries a methyl group at position 4. It is a metabolite of 4-methylumbelliferone.	2.65	3	aryl sulfate; coumarins	human xenobiotic metabolite
dopamine 3-o-sulfate dopamine 3-O-sulfate: end product of L-Dopa metabolism in Parkinson patients; see also record for dopamine 4-O-sulfate. dopamine 3-O-sulfate : An aryl sulfate that is dopamine in which the phenolic hydrogen at position 3 has been replaced by a sulfo group.	1.96	1	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
dopamine 4-o-sulfate dopamine 4-O-sulfate: possible precursor of free norepinephrin; see also record for dopamine 3-O-sulfate. dopamine 4-O-sulfate : An aryl sulfate that is dopamine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group.	1.96	1	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
c(alpha)-formylglycine C(alpha)-formylglycine: An unusual amino acid residue found at active site of sulfatases. It is created through the conversion of an active site cysteine or serine residue by C(alpha)-formylglycine (FGly)-generating enzyme. Although the term formylglycine has been used in the literature to refer to C(alpha)-formylglycine it is found in most chemical sources as a synonom for N-formyglycine.. L-3-oxoalanine : The L-enantiomer of 3-oxoalanine.	2.4	2	3-oxoalanine; amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid	Escherichia coli metabolite
tyrosine o-sulfate O(4')-sulfo-L-tyrosine : An O-sulfoamino acid that is L-tyrosine in which the phenolic hydrogen has been replaced by a sulfo group.	1.95	1	aryl sulfate; L-tyrosine derivative; O-sulfoamino acid	human metabolite
cupric ferrocyanide [no description available]	1.96	1
4-nitrocatechol 4-nitrocatechol : A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol.	1.96	1	C-nitro compound; catechols	human xenobiotic metabolite; lipoxygenase inhibitor
hymecromone Hymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.	2.65	3	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	2.03	1	cysteinium	fundamental metabolite
i(3)so3-galactosylceramide Sulfoglycosphingolipids: GLYCOSPHINGOLIPIDS with a sulfate group esterified to one of the sugar groups.. 1-(3-O-sulfo-beta-D-galactosyl)-N-tetracosanoylsphingosine : A D-galactosyl-N-acylsphingosine having a sulfo group at the 3-position on the galactose ring and tetracosanoyl as the N-acyl group.	2.07	1	galactosylceramide sulfate; N-acyl-beta-D-galactosylsphingosine
ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.	2.37	2	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
ascorbic acid 2-sulfate [no description available]	2.37	2	butenolide
nitrophenols Nitrophenols: PHENOLS carrying nitro group substituents.	2.07	1

Condition	Relationship Strength	Studies
Mucopolysaccharidosis [description not available]	2.15	1
Cherry Red Spot Myoclonus Syndrome [description not available]	2.15	1
Mucopolysaccharidoses Group of lysosomal storage diseases each caused by an inherited deficiency of an enzyme involved in the degradation of glycosaminoglycans (mucopolysaccharides). The diseases are progressive and often display a wide spectrum of clinical severity within one enzyme deficiency.	2.15	1
Behavior Disorders [description not available]	2.07	1
ARSA Deficiency [description not available]	3.08	5
Mental Disorders Psychiatric illness or diseases manifested by breakdowns in the adaptational process expressed primarily as abnormalities of thought, feeling, and behavior producing either distress or impairment of function.	2.07	1
Leukodystrophy, Metachromatic An autosomal recessive metabolic disease caused by a deficiency of CEREBROSIDE-SULFATASE leading to intralysosomal accumulation of cerebroside sulfate (SULFOGLYCOSPHINGOLIPIDS) in the nervous system and other organs. Pathological features include diffuse demyelination, and metachromatically-staining granules in many cell types such as the GLIAL CELLS. There are several allelic and nonallelic forms with a variety of neurological symptoms.	3.08	5
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	1.96	1
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	1.99	1

4-nitrocatechol sulfate

Description

Cross-References

Synonyms (26)

Roles (1)

Drug Classes (2)

Protein Targets (1)

Inhibition Measurements

Bioassays (2)

Research

Studies (26)

Market Indicators

Research Demand Index: 20.97

Study Types