Exact Mass: 174.035063
Exact Mass Matches: 174.035063
Found 500 metabolites which its exact mass value is equals to given mass value 174.035063,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Shikimic acid
Shikimic acid is a cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a cyclohexenecarboxylic acid, a hydroxy monocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a shikimate. Shikimic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Shikimic acid is a natural product found in Quercus mongolica, Populus tremula, and other organisms with data available. Shikimic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it. Shikimic acid, more commonly known as its anionic form shikimate, is a cyclohexene, a cyclitol and a cyclohexanecarboxylic acid. It is an important biochemical intermediate in plants and microorganisms. Its name comes from the Japanese flower shikimi (the Japanese star anise, Illicium anisatum), from which it was first isolated. Shikimic acid is a precursor for: the aromatic amino acids phenylalanine and tyrosine; indole, indole derivatives and tryptophan; many alkaloids and other aromatic metabolites; tannins; and lignin. In pharmaceutical industry, shikimic acid from chinese star anise is used as a base material for production of Tamiflu (oseltamivir). Although shikimic acid is present in most autotrophic organisms, it is a biosynthetic intermediate and generally found in very low concentrations. A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 175 KEIO_ID S012 Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants. Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants.
Juglone
Juglone is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. It has a role as a herbicide, a reactive oxygen species generator and a geroprotector. Juglone is a natural product found in Talaromyces diversus, Carya alba, and other organisms with data available. Occurs in Juglans subspecies and pecan nuts (Carya illinoensis). Juglone is found in many foods, some of which are common walnut, liquor, black walnut, and nuts. Juglone is found in black walnut. Juglone occurs in Juglans species and pecan nuts (Carya illinoensis D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives D009676 - Noxae > D003603 - Cytotoxins D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
Aconitate [cis or trans]
cis-Aconitic acid is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. The enzyme aconitase (aconitate hydratase; EC 4.2.1.3) catalyses the stereo-specific isomerization of citrate to isocitrate via cis-aconitate in the tricarboxylic acid cycle. Present in apple fruits, maple syrup and passion fruit juice cis-Aconitic acid, also known as (Z)-aconitic acid, plays several important biological roles: Intermediate in the Citric Acid Cycle: cis-Aconitic acid is an intermediate in the tricarboxylic acid (TCA) cycle, also known as the Krebs cycle or citric acid cycle. It is formed from citrate by the enzyme aconitase and is rapidly converted into isocitrate, another key intermediate in the cycle. The TCA cycle is central to cellular respiration, generating energy-rich molecules like NADH and FADH2. Regulation of Aconitase Activity: The conversion of citrate to cis-aconitate and then to isocitrate by aconitase is an important regulatory step in the TCA cycle. This conversion helps in maintaining the balance of the cycle and is influenced by factors like the energy status of the cell. Role in Cholesterol Synthesis: cis-Aconitic acid is also involved in the synthesis of cholesterol. It serves as a precursor for the synthesis of mevalonate, a key intermediate in the cholesterol biosynthesis pathway. Potential Involvement in Disease: Altered metabolism or accumulation of cis-aconitic acid has been associated with certain diseases, including neurodegenerative disorders and cancer. Its role in these conditions is an area of ongoing research. Plant Growth and Development: In plants, cis-aconitic acid has been found to play a role in growth and development, including seed germination and leaf senescence. In summary, cis-aconitic acid is a crucial intermediate in the TCA cycle, impacting energy production and various metabolic pathways in cells. Its role extends to cholesterol synthesis and potentially to various disease processes, highlighting its importance in cellular metabolism and physiology. cis-Aconitic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=585-84-2 (retrieved 2024-07-01) (CAS RN: 585-84-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid.
Phenyl dihydrogen phosphate
CONFIDENCE standard compound; INTERNAL_ID 2498 KEIO_ID P033
Lawsone
2-hydroxy-1,4-naphthoquinone appears as yellow prisms or yellow powder. (NTP, 1992) Lawsone is 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. It has a role as a protective agent and an antifungal agent. It is a tautomer of a naphthalene-1,2,4-trione. 2-Hydroxy-1,4-naphthoquinone is a natural product found in Impatiens noli-tangere, Lawsonia inermis, and other organisms with data available. D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors D004396 - Coloring Agents D003358 - Cosmetics Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1]. Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1].
Dehydroascorbic acid
Dehydroascorbic acid (DHA) is an oxidized form of ascorbic acid (vitamin C). It is actively imported into the endoplasmic reticulum of cells via glucose transporters. It is trapped therein by reduction back to ascorbate by glutathione and other thiols. Dehydroascorbic acid, also known as L-dehydroascorbate or DHAA, belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Dehydroascorbic acid has similar biological activity as ascorbic acid. Currently dehydroascorbic acid is an experimental drug with no known approved indications. Dehydroascorbic acid may be a unique E. coli metabolite. Norepinephrine and dehydroascorbic acid can be biosynthesized from dopamine and ascorbic acid through its interaction with the enzyme dopamine beta-hydroxylase. In humans, dehydroascorbic acid is involved in the metabolic disorder called tyrosinemia type I. Concerning dehydroascorbic acids antiviral effect against herpes simplex virus type 1, it is suggested that dehydroascorbic acid acts after replication of viral DNA and prevents the assembly of progeny virus particles. This is important because one study has found that after an ischemic stroke, dehydroascorbic acid has neuroprotective effects by reducing infarct volume, neurological deficits, and mortality. This reaction is reversible, but dehydroascorbic acid can instead undergo irreversible hydrolysis to 2,3-diketogulonic acid. In addition, unlike ascorbic Dehydroascorbic acid acid can cross the blood brain barrier and is then converted to ascorbic acid to enable retention in the brain. Dehydroascorbic acid is made from the oxidation of ascorbic acid. The exact mechanism of action is still being investigated, but some have been elucidated. Both compounds have been shown to have antiviral effects against herpes simplex virus type 1, influenza virus type A and poliovirus type 1 with dehydroascorbic acid having the stronger effect. In the body, both dehydroascorbic acid and ascorbic acid have similar biological activity as antivirals but dehydroascorbic acid also has neuroprotective effects. Even though dehydroascorbic acid and ascorbic acid have similar effects, their mechanism of action seems to be different. Dehydroascorbic acid, also known as dehydroascorbate, is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Dehydroascorbic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Dehydroascorbic acid can be found in a number of food items such as white cabbage, gram bean, mexican groundcherry, and common pea, which makes dehydroascorbic acid a potential biomarker for the consumption of these food products. Dehydroascorbic acid may be a unique E.coli metabolite. Dehydroascorbic acid (DHA) is an oxidized form of ascorbic acid (vitamin C). It is actively imported into the endoplasmic reticulum of cells via glucose transporters. It is trapped therein by reduction back to ascorbate by glutathione and other thiols. The (free) chemical radical semidehydroascorbic acid (SDA) also belongs to the group of oxidized ascorbic acids . D018977 - Micronutrients > D014815 - Vitamins Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke. Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke.
Formiminoglutamic acid
Measurement of this acid in the urine after oral administration of histidine provides the basis for the diagnostic test of folic acid deficiency and of megaloblastic anemia of pregnancy. [HMDB] Measurement of this acid in the urine after oral administration of histidine provides the basis for the diagnostic test of folic acid deficiency and of megaloblastic anemia of pregnancy.
2-Isopropyl-3-oxosuccinate
2-Isopropyl-3-oxosuccinate belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain that contains less than 6 carbon atoms. 2-Isopropyl-3-oxosuccinate is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Isopropyl-3-oxosuccinate exists in all living species, ranging from bacteria to humans. 2-Isopropyl-3-oxosuccinate has been detected, but not quantified in, several different foods, such as garden onion (var.), German camomiles, limes, cloud ear fungus, and citrus. This could make 2-isopropyl-3-oxosuccinate a potential biomarker for the consumption of these foods. 2-Isopropyl-3-oxosuccinate is an intermediate in leucine biosynthesis and can be generated from (2R,3S)-3-isopropylmalate. It is the third step in leucine biosynthesis after the fork from valine synthesis. It is an oxidative decarboxylation. Leucine biosynthesis involves a five-step conversion process starting with the valine precursor 2-keto-isovalerate. The final step in this pathway is catalyzed by two transaminases of broad specificity: branched-chain amino acid transferase (IlvE) and tyrosine aminotransferase (TyrB). In this pathway, 2-isopropyl-3-oxosuccinate is converted into 4-methyl-2-oxopentanoate via a spontaneous reaction (BioCyc).
Phenylmethylsulfonyl fluoride
Component of corn gluten (Zea mays). obtained comly. by extraction of corn gluten with alkaline aq. 2-propanol. Moisture control agent. It is used in edible coatings for nuts and other foods and as a binder in confectionery glazes. GRAS approved D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
4-Fluoro-1,2-dihydroxy-1,2-dihydrobenzoic acid
6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
Valienone
A member of the class of cyclohexenones that is cyclohex-2-en-1-one substituted by hydroxy groups at positions 4, 5 and 6, and by a hydroxymethyl group at position 3 (the 4R,5S,6R-diastereomer).
(R)-demethyl-4-deoxygadusol
trans-Aconitic acid
trans-Aconitic acid, also known as trans-aconitate or (e)-aconitic acid, belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. trans-Aconitic acid exists in all living species, ranging from bacteria to humans. trans-Aconitic acid is a dry, musty, and nut tasting compound. Outside of the human body, trans-aconitic acid has been detected, but not quantified in several different foods, such as garden tomato fruits, root vegetables, soy beans, and rices. trans-Aconitic acid is normally present in human urine, and it has been suggested that is present in larger amounts with Reyes syndrome and organic aciduria. trans-Aconitic acid in the urine is a biomarker for the consumption of soy products. trans-Aconitic acid is a substrate of enzyme trans-Aconitic acid 2-methyltransferase (EC2.1.1.144). Isolated from Asarum europaeum, from cane-sugar molasses, roasted chicory root, roasted malt barley, passion fruit, sorghum root and sugar beet. Flavouring agent used in fruit flavours and alcoholic beverages. Aconitic acid is an organic acid. The two isomers are cis-aconitic acid and trans-aconitic acid. The conjugate base of cis-aconitic acid, cis-aconitate is an intermediate in the isomerisation of citrate to isocitrate in the citric acid cycle. It is acted upon by aconitase. Trans-aconitate in the urine is a biomarker for the consumption of soy products. (E)-Aconitic acid is found in many foods, some of which are cereals and cereal products, rice, garden tomato (variety), and root vegetables. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A117 trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase. trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase.
N-Acetylasparagine
N-Acetyl-L-asparagine or N-Acetylasparagine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylasparagine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylasparagine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-asparagine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylasparagine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free asparagine can also occur. In particular, N-Acetylasparagine can be biosynthesized from L-asparagine and acetyl-CoA by the enzyme NAT1 or the arylamine acetyltransferase I (https://doi.org/10.1096/fasebj.31.1_supplement.821.8). Many N-acetylamino acids are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). A human metabolite taken as a putative food compound of mammalian origin [HMDB] (S)-2-acetamido-4-amino-4-oxobutanoic acid is an endogenous metabolite.
Brassilexin
Isolated from leaves of brown mustard (Brassica juncea) (Cruciferae). Brassilexin is found in many foods, some of which are cauliflower, chinese mustard, herbs and spices, and chinese cabbage. Brassilexin is found in brassicas. Brassilexin is isolated from leaves of brown mustard (Brassica juncea) (Cruciferae
1-Oxo-1H-2-benzopyran-3-carboxaldehyde
1-Oxo-1H-2-benzopyran-3-carboxaldehyde is found in herbs and spices. 1-Oxo-1H-2-benzopyran-3-carboxaldehyde is isolated from tarragon (Artemisia dracunculus
2,5-Dimethyl-3-(methyldithio)furan
2,5-Dimethyl-3-(methyldithio)furan is found in coffee and coffee products. 2,5-Dimethyl-3-(methyldithio)furan is a component of coffee aroma. Component of coffee aroma. 2,5-Dimethyl-3-(methyldithio)furan is found in coffee and coffee products.
Dimethyl 2-oxoglutarate
Dimethyl-2-oxoglutarate (MOG) is a key intermediate in the Krebs cycle and an important nitrogen transporter in the metabolic pathways in biological processes (PMID: 19766063).
2,6-dimethyl-trans-2-heptenoyl-CoA
2,6-dimethyl-trans-2-heptenoyl-CoA is also known as Dimethyl 1,3-acetonedicarboxylate or Dimethyl 3-oxopentanedioate. 2,6-dimethyl-trans-2-heptenoyl-CoA is considered to be soluble (in water) and acidic
Dehydroascorbide(1-)
Dehydroascorbide(1-) is classified as a member of the Furanones. Furanones are compounds containing a furan ring bearing a ketone group. Dehydroascorbide(1-) is considered to be soluble (in water) and acidic COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-Fluoroorotic acid
C5H3FN2O4 (174.00768499999998)
Lawsone
D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors D004396 - Coloring Agents D003358 - Cosmetics Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1]. Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity[1].
Auxin
Auxins are a class of plant growth substances and morphogens (often called phytohormone or plant hormone). Auxins have an essential role in coordination of many growth and behavioral processes in the plants life cycle. IAA (indole-3-acetic acid) is the most abundant and the basic native auxin in plants. Auxin is found in soft-necked garlic.
cis-Aconitic acid
(Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid.
Dehydroascorbate
Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke. Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke.
(E)-10-Hydroxy-2-decene-4,6,8-triynoic acid|10-Hydroxy-dec-2t-en-4,6,8-triin-1-saeure|10-Hydroxy-dec-2t-en-4,6,8-triinsaeure|10-hydroxy-dec-2t-ene-4,6,8-triynoic acid|10-Hydroxy-decen-(2t)-triyn-(4,6,8)-saeure-(1)|Diatretin-3
Shikimic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants. Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants.
Na-Acetyl-L-asparagine
(S)-2-acetamido-4-amino-4-oxobutanoic acid is an endogenous metabolite.
cis-Aconitic acid
The cis-isomer of aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid.
trans-Aconitic acid
The trans-isomer of aconitic acid. trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase. trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase.
2,4-Toluene diisocyanate
CONFIDENCE standard compound; INTERNAL_ID 8323
Dehydroascorbic acid
D018977 - Micronutrients > D014815 - Vitamins Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke. Dehydroascorbic acid, a blood-brain barrier transportable form of vitamin C, mediates potent cerebroprotection in experimental stroke.
Aconitic acid
Aconitic acid is an organic acid. The two isomers are cis-aconitic acid and trans-aconitic acid. The conjugate base of cis-aconitic acid, cis-aconitate is an intermediate in the isomerisation of citrate to isocitrate in the citric acid cycle. It is acted upon by aconitase. Aconitic acid is found in many foods, some of which are oat, barley, red beetroot, and sunflower. Annotation level-2
Aconitic acid (not validated, isomer of 273)
Annotation level-2
Aconitic acid (not validated, isomer of 271)
Annotation level-2
shikimate
Shikimic acid, also known as shikimate or 3,4,5-trihydroxy-1-cyclohexenecarboxylic acid, is a member of the class of compounds known as shikimic acids and derivatves. Shikimic acids and derivatves are cyclitols containing a cyclohexanecarboxylic acid substituted with three hydroxyl groups at positions 3, 4, and 5. Shikimic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Shikimic acid can be found in a number of food items such as date, rocket salad, redcurrant, and poppy, which makes shikimic acid a potential biomarker for the consumption of these food products. Shikimic acid can be found primarily in blood and urine. Shikimic acid exists in all living species, ranging from bacteria to humans. Shikimic acid, more commonly known as its anionic form shikimate, is a cyclohexene, a cyclitol and a cyclohexanecarboxylic acid. It is an important biochemical metabolite in plants and microorganisms. Its name comes from the Japanese flower shikimi (シキミ, the Japanese star anise, Illicium anisatum), from which it was first isolated in 1885 by Johan Fredrik Eykman. The elucidation of its structure was made nearly 50 years later . Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants. Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants.
N-Acetylasparagine
(S)-2-acetamido-4-amino-4-oxobutanoic acid is an endogenous metabolite.
Aconitate
trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase. trans-Aconitic acid is present in normal human urine, and it has been suggested that is present in larger amounts with Reye's syndrome and organic aciduria. trans-Aconitic acid is a substrate of enzyme trans-aconitate 2-methyltransferase.
3-(CHLOROMETHYL)-5-ISOBUTYL-1,2,4-OXADIAZOLE
C7H11ClN2O (174.05598659999998)
3,6-Difluoro-pyrazine-2-carboxylic acid Methyl ester
3-Pyridinesulfonamide,6-hydroxy-(7CI)
C5H6N2O3S (174.00991259999998)
2-(chloromethyl)oxirane,2-methyl-1H-imidazole
C7H11ClN2O (174.05598659999998)
(1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
(S)-2-AMINO-2-(3,5-DIFLUOROPYRIDIN-2-YL)ETHANOL
C7H8F2N2O (174.06046619999998)
(R)-2-AMINO-2-(3,5-DIFLUOROPYRIDIN-2-YL)ETHANOL
C7H8F2N2O (174.06046619999998)
2(1H)-Pyridinone,4-(2-aminoethyl)-(9CI)
C7H11ClN2O (174.05598659999998)
3-Methoxyphenylhydrazine hydrochloride
C7H11ClN2O (174.05598659999998)
5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
1H-PYRAZOLE-4-CARBOXYLICACID, 3-CHLORO-1-METHYL-, METHYL ESTER
METHYL 4-METHYL-3-OXOTETRAHYDROTHIOPHENE-2-CARBOXYLATE
Benzenecarboximidamide hydrochloride hydrate
C7H11ClN2O (174.05598659999998)
4-methoxyphenylhydrazine hydrochloride
C7H11ClN2O (174.05598659999998)
5-Thiazoleacetic acid,2-amino-4,5-dihydro-4-oxo-
C5H6N2O3S (174.00991259999998)
(6-(DIMETHOXYMETHYL)FURO[3,2-B]PYRIDIN-2-YL)-METHANOL
C7H11ClN2O (174.05598659999998)
5-(chloromethyl)-3-(2-methylpropyl)-1,2,4-oxadiazole
C7H11ClN2O (174.05598659999998)
1H-Imidazole-4-propanoicacid, a-chloro-, (S)- (9CI)
5-(tert-Butyl)-3-(chloromethyl)-1,2,4-oxadiazole
C7H11ClN2O (174.05598659999998)
(4-chloro-5-ethyl-2-methyl-2H-pyrazol-3-yl)-methanol
C7H11ClN2O (174.05598659999998)
1-Cyclopentene-1-carboxylic acid, 2-(chlorocarbonyl)- (9CI)
[METHYL-(2-OXO-CYCLOBUTYL)-AMINO]-ACETONITRILE HYDROCHLORIDE
C7H11ClN2O (174.05598659999998)
1H-Imidazole-4-carboxylic acid,5-(chloromethyl)-2-methyl-
2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate
2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate is an endogenous metabolite. Orotic acid hydrate is an endogenous metabolite.
(3R,4S)-tetrahydrofuran-3,4-diamine dihydrochloride
4-CHLORO-2,5-DIMETHYL-2H-PYRAZOLE-3- CARBOXYLIC ACID
ethyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
4-hydroazinobenzyl alcohol hydrochloride
C7H11ClN2O (174.05598659999998)
(4-Hydrazinophenyl)methanol hydrochloride (1:1)
C7H11ClN2O (174.05598659999998)
2-(2-HYDROXYETHYLAMINO)-PYRIDINE HCL
C7H11ClN2O (174.05598659999998)
Boronic acid, 6-quinoxalinyl- (9CI)
C8H7BN2O2 (174.06005520000002)
1-(5-cyclopropylisoxazol-3-yl)methanamine
C7H11ClN2O (174.05598659999998)
6-Methoxy-5-methylpyridin-3-amine hydrochloride
C7H11ClN2O (174.05598659999998)
1H-Cyclopenta[5,6]thiopyrano[2,3-d]imidazole (9CI)
p-toluenesulfonyl fluoride
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
5-(chloromethyl)-1-(2-methoxyethyl)imidazole
C7H11ClN2O (174.05598659999998)
3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBONITRILE
5-Fluoro-6-methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone
o-Methoxyphenylhydrazine hydrochloride
C7H11ClN2O (174.05598659999998)
2-Chloro-4-hydrazino-5-methoxy-pyrimidine
C5H7ClN4O (174.03083619999998)
1-CHLORO-4-TRIMETHYLSILANYL-BUT-3-YN-2-ONE
C7H11ClOSi (174.02676659999997)
(2-AMINO-3-PYRIDINYL)-[1,1-BIPHENYL]-4-YL-METHANONE
C5H6N2O3S (174.00991259999998)
DL-Aspartic acid hemimagnesium salt
C4H8MgNO5+ (174.02529579999998)
5-Nitroso-8-quinolinol
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
POLY(PROPYLENE GLYCOL), TOLYLENE 2,4-DIISOCYANATE TERMINATED
3-Methoxy-2-(methylamino)pyridine hydrochloride
C7H10N2O.HCl (174.05598659999998)
2,3-Oxiranedicarboxylic acid, 2-Methyl-, diMethyl ester,(2R,3R)-rel-
3-(1,2,4-oxadiazol-3-yl)benzaldehyde(SALTDATA: FREE)
2-IMINO-4-OXO-[1,3]THIAZINANE-6-CARBOXYLIC ACID
C5H6N2O3S (174.00991259999998)
4-(1,2,4-oxadiazol-3-yl)benzaldehyde(SALTDATA: FREE)
(6-METHOXYPYRIDIN-2-YL)METHANAMINE HYDROCHLORIDE
C7H11ClN2O (174.05598659999998)
[3-(difluoromethoxy)phenyl]hydrazine
C7H8F2N2O (174.06046619999998)
[4-(difluoromethoxy)phenyl]hydrazine
C7H8F2N2O (174.06046619999998)
2-Methoxyphenylhydrazine hydrochloride
C7H11ClN2O (174.05598659999998)
(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
3-Methoxy-o-phenylenediamine Hydrochloride
C7H11ClN2O (174.05598659999998)
7-HYDROXY-5-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
Methyl 3-chloro-1-Methyl-1H-pyrazole-5-carboxylate
Indole-3-acetate
An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-acetic acid.
3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid
A cyclohexenecarboxylic acid that is 1-cyclohexene-1-carboxylic acid carrying three hydroxy substituents at positions 3, 4 and 5.
(5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-trione
Nucin
D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives D009676 - Noxae > D003603 - Cytotoxins D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
cis-Aconitate
Cis-aconitic acid, also known as (Z)-1-propene-1,2,3-tricarboxylic acid or cis-aconitate, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. Cis-aconitic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Cis-aconitic acid is a very mild, musty, and nutty tasting compound and can be found in a number of food items such as red beetroot, barley, corn, and oat, which makes cis-aconitic acid a potential biomarker for the consumption of these food products. Cis-aconitic acid can be found primarily in most biofluids, including urine, saliva, sweat, and breast milk, as well as in human prostate tissue. Cis-aconitic acid exists in all living species, ranging from bacteria to humans. In humans, cis-aconitic acid is involved in several metabolic pathways, some of which include the oncogenic action of succinate, congenital lactic acidosis, the oncogenic action of fumarate, and the oncogenic action of 2-hydroxyglutarate. Cis-aconitic acid is also involved in several metabolic disorders, some of which include pyruvate dehydrogenase deficiency (E3), glutaminolysis and cancer, mitochondrial complex II deficiency, and the oncogenic action of d-2-hydroxyglutarate in hydroxygluaricaciduria. Moreover, cis-aconitic acid is found to be associated with schizophrenia and lung Cancer. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid. (Z)-Aconitic acid (cis-Aconitic acid) is the cis-isomer of Aconitic acid. (Z)-Aconitic acid (cis-Aconitic acid) is an intermediate in the tricarboxylic acid cycle produced by the dehydration of citric acid.
L-Ureidosuccinate
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N-amidino-L-aspartate(1-)
C5H8N3O4- (174.05147879999998)
Conjugate base of N-amidino-L-aspartate arising from deprotonation of the carboxy groups and protonation of the guanidino group; major species at pH 7.3.
(2S)-2-azaniumyl-3-[(2E)-2-iminoazaniumylideneacetyl]oxypropanoate
C5H8N3O4+ (174.05147879999998)
[2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethylidene]-iminoazanium
C5H8N3O4+ (174.05147879999998)
3-Methyl-2-indolate
An indolecarboxylate obtained by deprotonation of the carboxy group of 3-methyl-2-indolic acid; major species at pH 7.3.
(5S)-5-[2-(methylsulfanyl)ethyl]imidazolidine-2,4-dione
4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
(E)-2-[(2S)-2-Amino-2-carboxyethoxy]-2-hydroxyethenediazonium
C5H8N3O4+ (174.05147879999998)
5-[(1S)-1,2-dihydroxyethyl]-4-hydroxyfuran-2,3-dione
(Z)-[(2S)-2-carboxypyrrolidin-1-yl]-oxido-oxidoiminoazanium
C5H8N3O4- (174.05147879999998)
(Z)-2-[(2S)-2-amino-2-carboxyethoxy]-2-hydroxyethenediazonium
C5H8N3O4+ (174.05147879999998)
Phenylmethylsulfonyl fluoride
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Phenyl phosphate
An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.
(2S)-2-isopropylmalate(2-)
A 2-isopropylmalate(2-) with S-configuration at the chiral centre.
N-carbamoyl-L-aspartate(2-)
An N-carbamoyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy groups of N-carbamoyl-L-aspartic acid.
2-Isopropylmalate(2-)
A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 2-isopropylmalic acid.
monodehydro-L-ascorbate(1-)
The conjugate base of monodehydro-L-ascorbic acid arising from deprotonation of the 4-hydroxy group; major species at pH 7.3.
(2S)-2-Isopropyl-3-oxosuccinic acid
An oxo dicarboxylic acid that is 2-ketosuccinic acid (oxalacetic acid) in which the 3-pro-S hydrogen is substituted by an isopropyl group.