Exact Mass: 174.0481
Exact Mass Matches: 174.0481
Found 500 metabolites which its exact mass value is equals to given mass value 174.0481,
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
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].
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).
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
(R)-demethyl-4-deoxygadusol
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
4-Methoxy-1-naphthol
Constituent of the roots of Asperula odorata (sweet woodruff). 4-Methoxy-1-naphthol is found in tea, herbs and spices, and beverages. 4-Methoxy-1-naphthol is found in beverages. 4-Methoxy-1-naphthol is a constituent of the roots of Asperula odorata (sweet woodruff).
3-Propylidene-1(3H)-isobenzofuranone
3-Propylidene-1(3H)-isobenzofuranone is a flavouring ingredien Flavouring ingredient
4,4'-Thiobis-2-butanone
4,4-Thiobis-2-butanone is a flavouring and perfumery ingredient. Flavouring and perfumery ingredient
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
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.
(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
5-(1,2-Epoxypropyl)-benzofuran|5-(2-Methyloxiranyl)benzofuran
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.
2,4-Toluene diisocyanate
CONFIDENCE standard compound; INTERNAL_ID 8323
Juarezic Acid
Cinnamylideneacetic acid is a photoresponsive compound which is capable of a photoinduced [2+2] cycloaddition[1].
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.
Thiophene, 2,5-dihydro-2-methyl-4-(1-methylethyl)-, 1,1-dioxide (9CI)
Thiophene, 2,3-dihydro-5-methyl-2-(1-methylethyl)-, 1,1-dioxide (9CI)
3,6-Difluoro-pyrazine-2-carboxylic acid Methyl ester
2,6-Pyrazinedicarbonitrile,3-amino-5-(methylamino)-(9CI)
(1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
(3aR,8bS)-3,3a,4,8b-Tetrahydro-2H-indeno[1,2-b]furan-2-one
1-OXO-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBALDEHYDE
6,7-Dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazole-3-methanamine
METHYL 4-METHYL-3-OXOTETRAHYDROTHIOPHENE-2-CARBOXYLATE
(6-(DIMETHOXYMETHYL)FURO[3,2-B]PYRIDIN-2-YL)-METHANOL
5-(chloromethyl)-3-(2-methylpropyl)-1,2,4-oxadiazole
3,5-dimethylpyrazole-1-carboximidamide hydrochloride
6,7-DIHYDRO-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLE-3-METHANAMINEHYDROCHLORIDE
(4-chloro-5-ethyl-2-methyl-2H-pyrazol-3-yl)-methanol
[METHYL-(2-OXO-CYCLOBUTYL)-AMINO]-ACETONITRILE HYDROCHLORIDE
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.
2-methyl-3-phenyl-2-cyclopropene-1-carboxylic acid
(3R,4S)-tetrahydrofuran-3,4-diamine dihydrochloride
3,5-dimethyl-1-benzofuran-2-carbaldehyde(SALTDATA: FREE)
ethyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
3-METHYL-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE HYDROCHLORIDE
1H-Cyclopenta[5,6]thiopyrano[2,3-d]imidazole (9CI)
3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBONITRILE
5-Fluoro-6-methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone
Thiophene, 2,3-dihydro-5-methyl-4-(1-methylethyl)-, 1,1-dioxide (9CI)
cadaverine dihydrochloride
Pentane-1,5-diamine dihydrochloride is an endogenous metabolite.
1,4,4a,8a-Tetrahydro-1,4-methano-naphthalene-5,8-dione
1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene-5,7(1aH)-dione,hexahydro-
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-
Furo[2,3-d]oxazole-5-methanol,2-amino-3a,5,6,6a-tetrahydro-6-hydroxy-, (3aR,5R,6R,6aS)-
3-(1,2,4-oxadiazol-3-yl)benzaldehyde(SALTDATA: FREE)
(2-AMINOETHYL)TRIMETHYLAMMONIUM CHLORIDE HYDROCHLORIDE
4-(1,2,4-oxadiazol-3-yl)benzaldehyde(SALTDATA: FREE)
(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
7-HYDROXY-5-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
Indole-3-acetate
An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-acetic acid.
5-Phenylpenta-2,4-dienoic acid
Cinnamylideneacetic acid is a photoresponsive compound which is capable of a photoinduced [2+2] cycloaddition[1].
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.
L-Ureidosuccinate
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N-amidino-L-aspartate(1-)
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
[2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethylidene]-iminoazanium
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
(Z)-[(2S)-2-carboxypyrrolidin-1-yl]-oxido-oxidoiminoazanium
(Z)-2-[(2S)-2-amino-2-carboxyethoxy]-2-hydroxyethenediazonium
Formiminoglutamic acid
The N-formimidoyl derivative of L-glutamic acid
(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.
(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.
