Exact Mass: 174.04406840000001
Exact Mass Matches: 174.04406840000001
Found 180 metabolites which its exact mass value is equals to given mass value 174.04406840000001,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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.
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).
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
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
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.
2,4-Toluene diisocyanate
CONFIDENCE standard compound; INTERNAL_ID 8323
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.
(1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
METHYL 4-METHYL-3-OXOTETRAHYDROTHIOPHENE-2-CARBOXYLATE
ethyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBONITRILE
5-Nitroso-8-quinolinol
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
POLY(PROPYLENE GLYCOL), TOLYLENE 2,4-DIISOCYANATE TERMINATED
2,3-Oxiranedicarboxylic acid, 2-Methyl-, diMethyl ester,(2R,3R)-rel-
3-(1,2,4-oxadiazol-3-yl)benzaldehyde(SALTDATA: FREE)
4-(1,2,4-oxadiazol-3-yl)benzaldehyde(SALTDATA: FREE)
(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)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.
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)
(5S)-5-[2-(methylsulfanyl)ethyl]imidazolidine-2,4-dione
(E)-2-[(2S)-2-Amino-2-carboxyethoxy]-2-hydroxyethenediazonium
C5H8N3O4+ (174.05147879999998)
(Z)-[(2S)-2-carboxypyrrolidin-1-yl]-oxido-oxidoiminoazanium
C5H8N3O4- (174.05147879999998)
(Z)-2-[(2S)-2-amino-2-carboxyethoxy]-2-hydroxyethenediazonium
C5H8N3O4+ (174.05147879999998)
(2S)-2-isopropylmalate(2-)
A 2-isopropylmalate(2-) with S-configuration at the chiral centre.
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.
(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.