Exact Mass: 116.9981404

Exact Mass Matches: 116.9981404

Found 113 metabolites which its exact mass value is equals to given mass value 116.9981404, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

L-Aspartate-semialdehyde

L-Aspartic acid beta-semialdehyde

C4H7NO3 (117.0425912)


L-Aspartate-semialdehyde (CAS: 15106-57-7) is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways. In the lysine biosynthesis I pathway, L-aspartate-semialdehyde is produced from a reaction between L-aspartyl-4-phosphate and NADPH, with phosphate and NADP+ as byproducts. The reaction is catalyzed by aspartate-semialdehyde dehydrogenase. L-Aspartate-semialdehyde reacts with pyruvate to produce L-2,3-dihydrodipicolinate and water. Dihydrodipicolinate synthase catalyzes this reaction. In the homoserine biosynthesis pathway, L-aspartate-semialdehyde is produced from a reaction between L-aspartyl-4-phosphate and NADPH, with phosphate and NADP+ as byproducts. The reaction is catalyzed by aspartate-semialdehyde dehydrogenase. L-Aspartate-semialdehyde reacts with NAD(P)H and H+ to form homoserine and NAD(P)+. L-Aspartate-semialdehyde is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways.

   

3-Nitroacrylate

3-Nitroacrylic acid

C3H3NO4 (117.0062078)


   

2-Amino-acetoacetate

2-amino-3-oxobutanoic acid

C4H7NO3 (117.0425912)


   

(Z)-2-methyl-peroxyaminoacrylate

(2Z)-3-amino-2-methylprop-2-eneperoxoic acid

C4H7NO3 (117.0425912)


(z)-2-methyl-peroxyaminoacrylate, also known as (Z)-2-hydroxy-3-peroxyaminoacrylic acid, is a member of the class of compounds known as peroxycarboxylic acids. Peroxycarboxylic acids are organic acids with the general formula [H]OOC(R)=O (R = H, organyl group) (z)-2-methyl-peroxyaminoacrylate is soluble (in water) and a very weakly acidic compound (based on its pKa). (z)-2-methyl-peroxyaminoacrylate can be found in a number of food items such as common buckwheat, alaska blueberry, tinda, and common pea, which makes (z)-2-methyl-peroxyaminoacrylate a potential biomarker for the consumption of these food products (z)-2-methyl-peroxyaminoacrylate may be a unique E.coli metabolite.

   

L-2-Amino-3-oxobutanoic acid

(2S)-2-amino-3-Oxobutanoic acid

C4H7NO3 (117.0425912)


L-2-Amino-3-oxobutanoic acid or L-2-amino acetic acid is involved in glycine/serine metabolism and is a breakdown product from glycine. It spontaneously decomposes to aminoacetone. Delta-aminolevuliinate synthase is the enzyme that catalyzes the interconversion between glycine and L-2-amino-3-oxobutanoic acid. Glycine C-acetyltransferase is also capable of catalyzing this reaction. [HMDB] L-2-Amino-3-oxobutanoic acid or L-2-amino acetic acid is involved in glycine/serine metabolism and is a breakdown product from glycine. It spontaneously decomposes to aminoacetone. Delta-aminolevuliinate synthase is the enzyme that catalyzes the interconversion between glycine and L-2-amino-3-oxobutanoic acid. Glycine C-acetyltransferase is also capable of catalyzing this reaction.

   

N-Acetylglycine

N-Acetylglycine sodium salt

C4H7NO3 (117.0425912)


N-Acetyl-glycine or N-Acetylglycine, 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-Acetylglycine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylglycine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid glycine. 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-acetylglycine 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 glycine can also occur. In particular, N-Acetylglycine can be biosynthesized from glycine and acetyl-CoA by the enzyme glycine N-acyltransferase (GLYAT) (EC 2.3.1.13). Excessive amounts N-acetyl amino acids including N-acetylglycine (as well as N-acetylserine, N-acetylglutamine, N-acetylglutamate, N-acetylalanine, Nacetylmethionine and smaller amounts of N-acetylthreonine, N-acetylleucine, N-acetylvaline and N-acetylisoleucine) can be detected in the urine with individuals with acylase I deficiency, a genetic disorder (PMID: 16465618). Aminoacylase I is a soluble homodimeric zinc binding enzyme that catalyzes the formation of free aliphatic amino acids from N-acetylated precursors. In humans, Aminoacylase I is encoded by the aminoacylase 1 gene (ACY1) on chromosome 3p21 that consists of 15 exons (OMIM 609924). Individuals with aminoacylase I deficiency will experience convulsions, hearing loss and difficulty feeding (PMID: 16465618). ACY1 can also catalyze the reverse reaction, the synthesis of acetylated amino acids. Many N-acetylamino acids, including N-acetylglycine, 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). N-Acetylglycine is used is in biological research of peptidomimetics. It is used as the blocking agent of the N-terminus to prepare unnatural and unusual amino acids and amino acid analogs as well as to modify peptides. N-Substituted glycine analogs are widely used in peptidomimetics and drug research. Excessive amounts N-acetyl amino acids including N-acetylglycine (as well as N-acetylserine, N-acetylglutamine, N-acetylglutamate, N-acetylalanine, Nacetylmethionine and smaller amounts of N-acetylthreonine, N-acetylleucine, N-acetylvaline and N-acetylisoleucine) can be detected in the urine with individuals with Acylase I defiency. This enzyme is involved in the degradation of N-acylated proteins. Individuals with this disorder will experience convulsions, hearing loss ond difficulty feeding. [HMDB] N-Acetylglycine (Aceturic acid) is a minor constituent of numerous foods with no genotoxicity or acute toxicity. N-acetylglycine is used in biological research of peptidomimetics.

   

Homocysteine thiolactone

(+-)-3-aminodihydro-2(3H)-Thiophenone

C4H7NOS (117.0248332)


Elevated level of the nonprotein amino acid homocysteine (Hcy) is a risk factor for cardiovascular diseases, neurodegenerative diseases, and neural tube defects. Metabolic conversion of Hcy to a chemically reactive metabolite, Hcy-thiolactone, catalyzed by methionyl-tRNA synthetase is the first step in a pathway that contributes to Hcy toxicity in humans. (PMID 16702349). The only known source of Hcy in the human body is dietary protein methionine; subsequent examinations of individual dietary amino acids have led to the conclusion that methionine, ingested in excess, is the most toxic amino acid. (Harper AE, Benevenga NJ, Wohlheuter RM. Effects of ingestion of disproportionate amounts of amino acids. Physiol Rev. 1970;50: 428 - 58; Benevenga NJ, Steele RD. Adverse effects of excessive consumption of amino acids. Annu Rev Nutr. 1984; 4:157-81). Animals fed high-protein or high-methionine diets for 2 years developed hyperhomocysteinemia and evidence of vascular disease (Fau D, Preret J, Hadjiisky P. Effects of ingestion of high protein or excess methionine diets by rats for two years. J Nutr. 1988; 118:128-33). Elevated level of the nonprotein amino acid homocysteine (Hcy) is a risk factor for cardiovascular diseases, neurodegenerative diseases, and neural tube defects. Metabolic conversion of Hcy to a chemically reactive metabolite, Hcy-thiolactone, catalyzed by methionyl-tRNA synthetase is the first step in a pathway that contributes to Hcy toxicity in humans. (PMID 16702349) D020011 - Protective Agents > D011837 - Radiation-Protective Agents

   

(3S)-3-Amino-4-oxobutanoic acid

(3S)-3-Amino-4-oxobutanoic acid

C4H7NO3 (117.0425912)


   

2,4-Dihydroxythiazole

4-hydroxy-2,3-dihydro-1,3-thiazol-2-one

C3H3NO2S (116.9884498)


   

2,4-Thiazolidinedione

2,4-Thiazolidinedione potassium

C3H3NO2S (116.9884498)


D007004 - Hypoglycemic Agents

   

Succinamic acid

3-carbamoylpropanoic acid

C4H7NO3 (117.0425912)


   

trans-3-Methylthioacrylamide

trans-3-Methylthioacrylamide

C4H7NOS (117.0248332)


   

Oxetin

(2R-cis)-3-Amino-2-oxetanecarboxylic acid

C4H7NO3 (117.0425912)


   

4-methyl-1,3-oxazolidine-2-thione

4-methyl-1,3-oxazolidine-2-thione

C4H7NOS (117.0248332)


   

methylmalonic monoamide

methylmalonic monoamide

C4H7NO3 (117.0425912)


   

3-methylsulfanylprop-2-enamide

3-methylsulfanylprop-2-enamide

C4H7NOS (117.0248332)


   

SUCCINAMIC ACID

Butanoic acid,4-amino-4-oxo-

C4H7NO3 (117.0425912)


A dicarboxylic acid monoamide of succinic acid.

   

3-methyl-1,3-oxazolidine-2-thione

3-methyl-1,3-oxazolidine-2-thione

C4H7NOS (117.0248332)


   

3-Aminooxetane-2-carboxylic acid

3-Aminooxetane-2-carboxylic acid

C4H7NO3 (117.0425912)


   

1,3-Oxazinane-2-thione

1,3-Oxazinane-2-thione

C4H7NOS (117.0248332)


   

Ac-Gly-OH

N-ACETYLGLYCINE

C4H7NO3 (117.0425912)


An N-acylglycine where the acyl group is specified as acetyl. Acquisition and generation of the data is financially supported in part by CREST/JST. N-Acetylglycine (Aceturic acid) is a minor constituent of numerous foods with no genotoxicity or acute toxicity. N-acetylglycine is used in biological research of peptidomimetics.

   

Acetylglycine

Acetylglycine

C4H7NO3 (117.0425912)


N-Acetylglycine (Aceturic acid) is a minor constituent of numerous foods with no genotoxicity or acute toxicity. N-acetylglycine is used in biological research of peptidomimetics.

   

N-ACETYLGLYCINE

N-ACETYLGLYCINE

C4H7NO3 (117.0425912)


   

Homocysteine thiolactone

Homocysteine thiolactone

C4H7NOS (117.0248332)


D020011 - Protective Agents > D011837 - Radiation-Protective Agents

   

L-Homocysteine thiolactone

L-Homocysteine thiolactone

C4H7NOS (117.0248332)


A thiolactone arising from formal condensation of the mercapto (sulfanyl) and carboxylic acid groups of L-homocysteine.

   

Aceturic acid

Aceturic acid

C4H7NO3 (117.0425912)


N-Acetylglycine (Aceturic acid) is a minor constituent of numerous foods with no genotoxicity or acute toxicity. N-acetylglycine is used in biological research of peptidomimetics.

   

L-2-Amino-3-oxobutanoic acid

L-2-Amino-3-oxobutanoic acid

C4H7NO3 (117.0425912)


   

2-Mercapto-1,3-thiazole

2-Mercapto-1,3-thiazole

C3H3NS2 (116.9706918)


   

5-sulfanylidene-1,2,4-triazolidin-3-one

5-sulfanylidene-1,2,4-triazolidin-3-one

C2H3N3OS (116.9996828)


   

Thiomorpholin-3-one

Thiomorpholin-3-one

C4H7NOS (117.0248332)


   

3-Aminooxetane-3-carboxylic acid

3-Aminooxetane-3-carboxylic acid

C4H7NO3 (117.0425912)


   

Manganese(II) methoxide

Manganese(II) methoxide

C2H6MnO2 (116.9748236)


   

5-Methyl-1,3,4-oxathiazol-2-one

5-Methyl-1,3,4-oxathiazol-2-one

C3H3NO2S (116.9884498)


   

5-(Chloromethyl)isoxazole

5-(Chloromethyl)isoxazole

C4H4ClNO (116.9981404)


   

(S)-4-MERCAPTO-2-PYRROLIDINONE

(S)-4-MERCAPTO-2-PYRROLIDINONE

C4H7NOS (117.0248332)


   
   

Nitrosonium tetrafluoroborate

Nitrosonium tetrafluoroborate

BF4NO (117.0009068)


   

1,3,5-Triazinane-2-thione

1,3,5-Triazinane-2-thione

C3H7N3S (117.0360662)


   
   

2,2-DIFLUOROETHYLAMINE HYDROCHLORIDE

2,2-DIFLUOROETHYLAMINE HYDROCHLORIDE

C2H6ClF2N (117.015681)


   

methyl 2-formamidoacetate

methyl 2-formamidoacetate

C4H7NO3 (117.0425912)


   

Sodium [(dicyanomethylene)amino]oxidanide

Sodium [(dicyanomethylene)amino]oxidanide

C3N3NaO (116.993907)


   

Sodium 3-pyridinolate

Sodium 3-pyridinolate

C5H4NNaO (117.0190574)


   

2-(Dimethylamino)-2-oxoacetic acid

2-(Dimethylamino)-2-oxoacetic acid

C4H7NO3 (117.0425912)


   

4-(Chloromethyl)-1,3-oxazole

4-(Chloromethyl)-1,3-oxazole

C4H4ClNO (116.9981404)


   

Ammonium vanadium oxide

Ammonium vanadium oxide

H4NO3V (116.9630804)


   

Phosphorofluoridicacid, monoammonium salt (8CI,9CI)

Phosphorofluoridicacid, monoammonium salt (8CI,9CI)

FH5NO3P (116.99910820000001)


   

Ammonium Perchlorate

Ammonium Perchlorate

ClH4NO4 (116.9828854)


   

1H-pyrrole-2,4-dicarbonitrile

1H-pyrrole-2,4-dicarbonitrile

C6H3N3 (117.0326958)


   

(4R)-4-Sulfanyl-2-pyrrolidinone

(4R)-4-Sulfanyl-2-pyrrolidinone

C4H7NOS (117.0248332)


   

3-Chloro-5-methyl-1,2,4-triazole

3-Chloro-5-methyl-1,2,4-triazole

C3H4ClN3 (117.00937339999999)


   

Ammonium oxido(dioxo)vanadium

Ammonium oxido(dioxo)vanadium

H4NO3V (116.9630804)


   

4-OXAZOLIDINECARBOXYLIC ACID

4-OXAZOLIDINECARBOXYLIC ACID

C4H7NO3 (117.0425912)


   

Aspartate semialdehyde

2-amino-4-oxobutanoic acid

C4H7NO3 (117.0425912)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

3-(MethylaMino)-3-oxopropanoic acid

3-(MethylaMino)-3-oxopropanoic acid

C4H7NO3 (117.0425912)


   
   

5-(Hydroxymethyl)oxazolidin-2-one

5-(Hydroxymethyl)oxazolidin-2-one

C4H7NO3 (117.0425912)


   

n-formyl-dl-alanine

n-formyl-dl-alanine

C4H7NO3 (117.0425912)


   

3-aminooxyoxolan-2-one

3-aminooxyoxolan-2-one

C4H7NO3 (117.0425912)


   

3-(CHLOROMETHYL)ISOXAZOLE

3-(CHLOROMETHYL)ISOXAZOLE

C4H4ClNO (116.9981404)


   

Nitromalonaldehyde

Nitromalonaldehyde

C3H3NO4 (117.0062078)


   

Methyl Malonamate

Methyl Malonamate

C4H7NO3 (117.0425912)


   

2-Methyl-2-nitropropanal

2-Methyl-2-nitropropanal

C4H7NO3 (117.0425912)


   

2-CHLORO-3-OXO-BUTYRONITRILE

2-CHLORO-3-OXO-BUTYRONITRILE

C4H4ClNO (116.9981404)


   

1-Ethynylcyclopropanamine hydrochloride

1-Ethynylcyclopropanamine hydrochloride

C5H8ClN (117.03452379999999)


   

2-Mercaptothiazole

2-Mercaptothiazole

C3H3NS2 (116.9706918)


   
   

2-CHLORO-5-METHYLOXAZOLE

2-CHLORO-5-METHYLOXAZOLE

C4H4ClNO (116.9981404)


   

2-methoxyethyl isothiocyanate

2-methoxyethyl isothiocyanate

C4H7NOS (117.0248332)


   

3-formylaminopropionic acid

3-formylaminopropionic acid

C4H7NO3 (117.0425912)


   

4-Hydroxymethyl oxazolidin-2-one

4-Hydroxymethyl oxazolidin-2-one

C4H7NO3 (117.0425912)


   
   

3,3-Difluorocyclobutanecarbonitrile

3,3-Difluorocyclobutanecarbonitrile

C5H5F2N (117.0390034)


   

Chloro(2H5)benzene

Chloro(2H5)benzene

C6ClD5 (117.03936189)


   

5-(chloromethyl)-1H-1,2,4-triazole

5-(chloromethyl)-1H-1,2,4-triazole

C3H4ClN3 (117.00937339999999)


   

1-CHLOROMETHYL-1H-1,2,4-TRIAZOLE

1-CHLOROMETHYL-1H-1,2,4-TRIAZOLE

C3H4ClN3 (117.00937339999999)


   
   

(4S)-1,3-oxazolidine-4-carboxylic acid

(4S)-1,3-oxazolidine-4-carboxylic acid

C4H7NO3 (117.0425912)


   

OXAZOLE, 2-CHLORO-4-METHYL-

OXAZOLE, 2-CHLORO-4-METHYL-

C4H4ClNO (116.9981404)


   

4-(chloromethyl)-1,2-oxazole

4-(chloromethyl)-1,2-oxazole

C4H4ClNO (116.9981404)


   

5-(Chloromethyl)-1,3-oxazole

5-(Chloromethyl)-1,3-oxazole

C4H4ClNO (116.9981404)


   

2-(Chloromethyl)-1,3-oxazole

2-(Chloromethyl)-1,3-oxazole

C4H4ClNO (116.9981404)


   

lithium manganite

lithium manganite

Li2MnO3 (116.954801)


   

3-Isothiocyanatopropan-1-OL

3-Isothiocyanatopropan-1-OL

C4H7NOS (117.0248332)


   

1,3-Thiazolidine-2,5-dione

1,3-Thiazolidine-2,5-dione

C3H3NO2S (116.9884498)


   

Trimethylgermane

Trimethylgermane

C3H9Ge (116.9925014)


   

(2r)-2-Amino-4-Oxobutanoic Acid

(2r)-2-Amino-4-Oxobutanoic Acid

C4H7NO3 (117.0425912)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

L-2-Amino-3-oxobutanoate

L-2-Amino-3-oxobutanoate

C4H7NO3 (117.0425912)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

(3R)-3-hydroxy-4-oxobutanoate

(3R)-3-hydroxy-4-oxobutanoate

C4H5O4- (117.01878300000001)


   
   

Carbamoyl glycine

Carbamoyl glycine

C3H5N2O3- (117.030016)


   
   
   

3-(Methylthio)acryloate

3-(Methylthio)acryloate

C4H5O2S- (117.001025)


   

3-(Methylamino)-2-oxopropanoic acid

3-(Methylamino)-2-oxopropanoic acid

C4H7NO3 (117.0425912)


   
   

Benzimidazolide

Benzimidazolide

C7H5N2- (117.045271)


   

Methylmalonate(1-)

Methylmalonate(1-)

C4H5O4- (117.01878300000001)


A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of methylmalonic acid.

   

3-(Dioxido-lambda(5)-azanylidene)propanoate(2-)

3-(Dioxido-lambda(5)-azanylidene)propanoate(2-)

C3H3NO4-2 (117.0062078)


   
   

(2E)-2-(Hydroxyimino)ethyl acetate

(2E)-2-(Hydroxyimino)ethyl acetate

C4H7NO3 (117.0425912)


   

(2S)-2-Amino-4-oxobutanoic acid

(2S)-2-Amino-4-oxobutanoic acid

C4H7NO3 (117.0425912)


   

2-amino-3-oxobutanoic acid

2-amino-3-oxobutanoic acid

C4H7NO3 (117.0425912)


An alpha-amino acid that is acetoacetic acid which is substituted by an amino group at position 2.

   

3-Nitroacrylic acid

3-Nitroacrylic acid

C3H3NO4 (117.0062078)


   

(Z)-2-hydroxy-3-aminoperacrylic acid

(Z)-2-hydroxy-3-aminoperacrylic acid

C4H7NO3 (117.0425912)


   

2,4-Thiazolidinedione

2,4-Thiazolidinedione

C3H3NO2S (116.9884498)


D007004 - Hypoglycemic Agents

   

L-2-amino-3-oxobutanoic acid zwitterion

L-2-amino-3-oxobutanoic acid zwitterion

C4H7NO3 (117.0425912)


An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-2-amino-3-oxobutanoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

L-Aspartic 4-semialdehyde

L-Aspartic 4-semialdehyde

C4H7NO3 (117.0425912)


   

3-hydroxypropyl isothiocyanate

3-hydroxypropyl isothiocyanate

C4H7NOS (117.0248332)


An isothiocyanate that is 1-isothiocyanatopropane substituted by a hydroxy group at position 3.

   

3-(Dioxido-lambda(5)-azanylidene)propanoate(2-)

3-(Dioxido-lambda(5)-azanylidene)propanoate(2-)

C3H3NO4 (117.0062078)


Dianion of 3-aci-nitropropanoic acid arising from deprotonation of carboxy and nitro groups; major species at pH 7.3.

   

L-aspartic acid 4-semialdehyde zwitterion

L-aspartic acid 4-semialdehyde zwitterion

C4H7NO3 (117.0425912)


An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxylic acid group to the amino group of L-aspartic acid 4-semialdehyde.

   

succinate(1-)

succinate(1-)

C4H5O4 (117.01878300000001)


A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxy groups of succinic acid.

   

Aspartate-semialdehyde

Aspartate-semialdehyde

C4H7NO3 (117.0425912)