Exact Mass: 118.998

Exact Mass Matches: 118.998

Found 85 metabolites which its exact mass value is equals to given mass value 118.998, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Bovinocidin

2-(4-Nitrophenylamino)thiazole-4-carboxylicacid

C3H5NO4 (119.0219)


3-nitropropionic acid appears as golden crystals (from chloroform). (NTP, 1992) 3-nitropropanoic acid is a C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. It has a role as a neurotoxin, an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor, an antimycobacterial drug and a mycotoxin. It is functionally related to a propionic acid. It is a conjugate acid of a 3-nitropropanoate. It is a tautomer of a 3-aci-nitropropanoic acid. 3-Nitropropionic acid is a natural product found in Indigofera suffruticosa, Coscinoderma, and other organisms with data available. Bovinocidin is isolated from Aspergillus sp. and moulds contaminating foodBovinocidin belongs to the family of Beta Amino Acids and Derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants Bovinocidin is isolated from Aspergillus sp. and moulds contaminating foo D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Isolated from Aspergillus species and moulds contaminating food. 3-Nitropropanoic acid (β-Nitropropionic acid) is an irreversible inhibitor of succinate dehydrogenase. 3-Nitropropanoic acid exhibits potent antimycobacterial activity with a MIC value of 3.3 μM[1][2].

   

Aminomalonic acid

2-aminopropanedioic acid

C3H5NO4 (119.0219)


Aminomalonic acid (Ama) is an amino dicarboxylic acid that is an analog of malonic acid in which one of the methylene hydrogens has been replaced by an amino group. It is a strongly acidic compound that is very water soluble. Aminomalonic acid is a natural occurring, largely non-proteogenic amino acid that was first detected in alkaline hydrolysates of proteins in 1984. In particular, aminomalonic acid was isolated from proteins isolated from Escherichia coli cultures and from human atherosclerotic plaques (PMID: 6366787). Aminomalonic acid is a relatively unstable, minor amino acid in complex structures such as bacteria or tissues. The presence of aminomalonic acid has important biological implications because the malonic acid moiety potentially imparts calcium binding properties to proteins. Possible origins of aminomalonic acid in proteins include its introduction via errors in protein synthesis and oxidative damage to amino acid residues in proteins. (PMID: 1621954 , 6366787 ). Aminomalonic acid can be generated naturally via the activity of mammalian and bacterial enzymes on various precursors such as 2-aminomalonamide, diethylaminomalonate and ketomalonic acid (PMID: 35346). Free aminomalonic acid appears to be an oxidation product arising from perturbed serine or threonine metabolism. Aminomalonic acid is produced in animals that have been exposed to Cadmium (a strong pro-oxidant) for extended periods of time and it has been proposed to be a potential biomarker of Cadmium toxicity (PMID: 32193438). Aminomalonic acid has also been found to be elevated in the urine of individuals with anxiety and major depressive disorders (PMID: 30232320). Aminomalonic acid has been reported to be a potential biomarker for hepatocellular carcinoma (PMID: 18767022) and it exhibits strong inhibitory effects on L-asparagine synthase (PMID: 35346). Several metabolomics studies have also found that altered aminomalonic acid levels in serum are associated with neuropsychiatric disorders, melanoma, ketamine overdose and aortic aneurysm, indicating that aminomalonic acid is an important serum indicator for diseases and toxicities (PMID: 32193438). Aminomalonic acid (Ama) was first detected in alkaline hydrolysates of proteins in 1984. Ama has been isolated from proteins of Escherichia coli and human atherosclerotic plaque. The presence of Ama has important biological implications because the malonic acid moiety potentially imparts calcium binding properties to protein. Ama is not formed from any of the 20 major amino acids during the hydrolysis procedure. Furthermore, the amount of Ama found does not depend on the presence of small amounts of O2 during the hydrolysis. No artifactual formation of ama has been demonstrated and may indeed be a constituent of proteins before the hydrolysis procedure. Possible origins of Ama include errors in protein synthesis and oxidative damage to amino acid residues in proteins. (PMID: 1621954, 6366787) [HMDB] Aminomalonic acid is an amino endogenous metabolite, acts as a strong inhibitor of L-asparagine synthetase from Leukemia 5178Y/AR (Ki= 0.0023 M) and mouse pancreas (Ki= 0.0015 M) in vitro. Aminomalonic acid is a potential biomarker to discriminate between different stages of melanoma metastasis[1][2][3].

   

3-aci-Nitropropanoate

3-aci-Nitropropionic acid

C3H5NO4 (119.0219)


   

S-acetylcysteamine

S-Acetylthioethanolamine

C4H9NOS (119.0405)


   

1,2-Diacylglycerol-LD-PI-pool

Phenyl isocyanate, 14C-labeled CPD

C7H5NO (119.0371)


1,2-Diacylglycerol-LD-PI-pool, also known as PI or Carba0, is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. 1,2-Diacylglycerol-LD-PI-pool is considered to be practically insoluble (in water) and basic. 1,2-Diacylglycerol-LD-PI-pool is a non-carcinogenic (not listed by IARC) potentially toxic compound

   

1,2-Benzisoxazole

1-Oxa-2-aza-1H-indene

C7H5NO (119.0371)


   

Benzoxazole

1-Oxa-3-aza-1H-indene

C7H5NO (119.0371)


Benzoxazole, also known as 1-oxa-3-aza-1h-indene, is a member of the class of compounds known as benzoxazoles. Benzoxazoles are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Benzoxazole is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Benzoxazole can be found in tea, which makes benzoxazole a potential biomarker for the consumption of this food product. Being a heterocyclic compound, benzoxazole finds use in research as a starting material for the synthesis of larger, usually bioactive structures. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization .

   

Furo[3,2-b]pyridine

Furo[3,2-b]pyridine

C7H5NO (119.0371)


   

Glycine formate

2-aminoacetyl methaneperoxoate

C3H5NO4 (119.0219)


   

Hadacidin

N-Formyl-N- hydroxyaminoacetic acid

C3H5NO4 (119.0219)


D009676 - Noxae > D013723 - Teratogens D000970 - Antineoplastic Agents

   

N-Acetylcysteamine

Thiol N-acetyl-beta-mercaptoethylamine

C4H9NOS (119.0405)


   

(2S)-2-Amino-4-sulfanylbutanal

(2S)-2-Amino-4-sulphanylbutanal

C4H9NOS (119.0405)


   

3-S-methylmercaptopropionate

3-mercapto-2-Methylpropionic acid, monopotassium salt

C4H7O2S (119.0167)


3-s-methylmercaptopropionate, also known as 3-methylthiopropionic acid or 3-(methylsulfanyl)propanoic acid, is a member of the class of compounds known as straight chain fatty acids. Straight chain fatty acids are fatty acids with a straight aliphatic chain. 3-s-methylmercaptopropionate is soluble (in water) and a weakly acidic compound (based on its pKa). 3-s-methylmercaptopropionate can be found in a number of food items such as other bread, italian sweet red pepper, triticale, and pot marjoram, which makes 3-s-methylmercaptopropionate a potential biomarker for the consumption of these food products.

   

3-(methylthio)propanamide

3-(methylthio)propanamide

C4H9NOS (119.0405)


   

Nitrile-4-Hydroxybenzoic acid

Nitrile-4-Hydroxybenzoic acid

C7H5NO (119.0371)


   

Hadacidin

Hadacidin

C3H5NO4 (119.0219)


A monocarboxylic acid that is N-hydroxyglycine in which the hydrogen attached to the nitrogen is replaced by a formyl group. It was originally isolated from cultures of Penicillium frequentans. D009676 - Noxae > D013723 - Teratogens D000970 - Antineoplastic Agents

   

Nitrile-3-Hydroxybenzoic acid

Nitrile-3-Hydroxybenzoic acid

C7H5NO (119.0371)


   

Anthranil

2,1-benzoxazole

C7H5NO (119.0371)


   

BOVINOCIDIN (3-nitropropionic acid)

BOVINOCIDIN (3-nitropropionic acid)

C3H5NO4 (119.0219)


   

2-Cyanophenol

2-Hydroxybenzonitrile

C7H5NO (119.0371)


CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3284; ORIGINAL_PRECURSOR_SCAN_NO 3282 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3274; ORIGINAL_PRECURSOR_SCAN_NO 3272 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3283; ORIGINAL_PRECURSOR_SCAN_NO 3280 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3277; ORIGINAL_PRECURSOR_SCAN_NO 3275 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3357; ORIGINAL_PRECURSOR_SCAN_NO 3354 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3289; ORIGINAL_PRECURSOR_SCAN_NO 3285 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7848; ORIGINAL_PRECURSOR_SCAN_NO 7844 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7866; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7894; ORIGINAL_PRECURSOR_SCAN_NO 7891 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7891; ORIGINAL_PRECURSOR_SCAN_NO 7889 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7872; ORIGINAL_PRECURSOR_SCAN_NO 7870 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7895; ORIGINAL_PRECURSOR_SCAN_NO 7890

   

Aminomalonic acid

Aminomalonic acid

C3H5NO4 (119.0219)


An amino dicarboxylic acid that is malonic acid in which one of the methylene hydrogens has been replaced by an amino group. Aminomalonic acid is an amino endogenous metabolite, acts as a strong inhibitor of L-asparagine synthetase from Leukemia 5178Y/AR (Ki= 0.0023 M) and mouse pancreas (Ki= 0.0015 M) in vitro. Aminomalonic acid is a potential biomarker to discriminate between different stages of melanoma metastasis[1][2][3].

   

4(5)aminoimidazole dihydrochloride

4(5)aminoimidazole dihydrochloride

C3H6ClN3 (119.025)


   

4-Chloro-1,3-thiazole

4-Chloro-1,3-thiazole

C3H2ClNS (118.9596)


   

5-Chlorothiazole

5-Chlorothiazole

C3H2ClNS (118.9596)


   

(3S)-4-Chlor-3-hydroxybutanonitril

(3S)-4-Chlor-3-hydroxybutanonitril

C4H6ClNO (119.0138)


   

2(1H)-Pyridinone,3-ethynyl-(9CI)

2(1H)-Pyridinone,3-ethynyl-(9CI)

C7H5NO (119.0371)


   

Cobalt acetate

Cobalt acetate

C2H4CoO2 (118.9543)


   

4-Chloro-3-hydroxybutanenitrile

4-Chloro-3-hydroxybutanenitrile

C4H6ClNO (119.0138)


   

Furo[3,2-c]pyridine

Furo[3,2-c]pyridine

C7H5NO (119.0371)


   

2-Chlorothiazole

2-Chlorothiazole

C3H2ClNS (118.9596)


   

phenyl cyanate

phenyl cyanate

C7H5NO (119.0371)


   

1H-pyrazol-5-amine,hydrochloride

1H-pyrazol-5-amine,hydrochloride

C3H6ClN3 (119.025)


   

2-Chloroethoxyacetonitrile

2-Chloroethoxyacetonitrile

C4H6ClNO (119.0138)


   

1-(2H3)Methyl-1,2-dihydro-5H-tetrazole-5-thione

1-(2H3)Methyl-1,2-dihydro-5H-tetrazole-5-thione

C2HD3N4S (119.0345)


   

4,5-DIHYDROISOTHIAZOLE 1,1-DIOXIDE

4,5-DIHYDROISOTHIAZOLE 1,1-DIOXIDE

C3H5NO2S (119.0041)


   

Methyl nitroacetate

Methyl nitroacetate

C3H5NO4 (119.0219)


   

Hydrazinecarboximidamide,N-nitro-

Hydrazinecarboximidamide,N-nitro-

CH5N5O2 (119.0443)


   

4,5-ISOXAZOLEDICARBONITRILE

4,5-ISOXAZOLEDICARBONITRILE

C5HN3O (119.012)


   

Furo[2,3-b]pyridine

Furo[2,3-b]pyridine

C7H5NO (119.0371)


   

Acetic acid,aminothioxo-,methyl ester (9CI)

Acetic acid,aminothioxo-,methyl ester (9CI)

C3H5NO2S (119.0041)


   

3-Cyanophenol

3-Cyanophenol

C7H5NO (119.0371)


   

(Methylsulfonyl)acetonitrile

(Methylsulfonyl)acetonitrile

C3H5NO2S (119.0041)


   

(S)-4-Chloro-3-hydroxybutyronitrile

(S)-4-Chloro-3-hydroxybutyronitrile

C4H6ClNO (119.0138)


   

4-Hydroxybenzonitrile

4-Hydroxybenzonitrile

C7H5NO (119.0371)


   

Sodium sulfamate

Sodium sulfamate

H2NNaO3S (118.9653)


   

1H-Pyrazol-4-amine hydrochloride

1H-Pyrazol-4-amine hydrochloride

C3H6ClN3 (119.025)


   

niobium boride

niobium boride

B2H4Nb (118.9563)


   

CYCLOPENTA[C]PYRROL-4(1H)-ONE

CYCLOPENTA[C]PYRROL-4(1H)-ONE

C7H5NO (119.0371)


   

Chloroacetyl isocyanate

Chloroacetyl isocyanate

C3H2ClNO2 (118.9774)


   

Furo[2,3-c]pyridine

Furo[2,3-c]pyridine

C7H5NO (119.0371)


   

2-ethynylpyridin-3-ol

2-ethynylpyridin-3-ol

C7H5NO (119.0371)


   

2-Oxiranylmethyl nitrate

2-Oxiranylmethyl nitrate

C3H5NO4 (119.0219)


   

(E)-2-NITROETHENYLBENZENE

(E)-2-NITROETHENYLBENZENE

C7H5NO (119.0371)


   

2-Furanacrylonitrile

2-Furanacrylonitrile

C7H5NO (119.0371)


   

6-ethynyl-1H-pyridin-2-one

6-ethynyl-1H-pyridin-2-one

C7H5NO (119.0371)


   

5-ETHYNYLPYRIDIN-2-OL

5-ETHYNYLPYRIDIN-2-OL

C7H5NO (119.0371)


   

2-mercapto thiazoline

2-mercapto thiazoline

C3H5NS2 (118.9863)


   

Hydrazinecarbothioamide,2-formyl-

Hydrazinecarbothioamide,2-formyl-

C2H5N3OS (119.0153)


   

1H-imidazol-2-amine,hydrochloride

1H-imidazol-2-amine,hydrochloride

C3H6ClN3 (119.025)


   

3-Chloropropyl isocyanate

3-Chloropropyl isocyanate

C4H6ClNO (119.0138)


   

4-Mercaptobutyrate

4-Mercaptobutyrate

C4H7O2S- (119.0167)


   

Benzonitrile oxide

Benzonitrile oxide

C7H5NO (119.0371)


   

N-Carboxyglycine

N-Carboxyglycine

C3H5NO4 (119.0219)


   

Phenylisocyanate

O2-4alpha-cyclic-tetrahydrobiopterin

C7H5NO (119.0371)


O2-4a-cyclic-tetrahydrobiopterin is a novel pterin intermediate, in addition to the expected 4a-hydroxytetrahydrobiopterin (4a-OH-BH4) and quinonoid dihydrobiopterin generated during catalytic turnover of tyrosine hydroxylase (TH) with tetrahydrobiopterin as the cofactor. Its conversion into quinonoid dihydrobiopterin is catalysed by pterin-4a-carbinolamine dehydratase [HMDB]

   

3-Mercaptopyruvate

3-Mercaptopyruvate

C3H3O3S- (118.9803)


The conjugate base of 3-mercaptopyruvic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3-(Methylthio)propionate

3-(Methylthio)propionate

C4H7O2S- (119.0167)


A thia fatty acid anion that is the conjugate base of 3-(methylthio)propionic acid.

   

3-Mercaptobutanoate

3-Mercaptobutanoate

C4H7O2S- (119.0167)


   

3-Aci-nitropropanoic acid

3-Aci-nitropropanoic acid

C3H5NO4 (119.0219)


An aci-nitro compound resulting from the tautomerisation of the nitro group of 3-nitropropanoic acid.

   

3,4-Dihydroxybutanoate

3,4-Dihydroxybutanoate

C4H7O4- (119.0344)


   

2-Amino-3-sulfidopropanoate

2-Amino-3-sulfidopropanoate

C3H5NO2S-2 (119.0041)


   

(2R)-2-amino-3-sulfidopropanoate

(2R)-2-amino-3-sulfidopropanoate

C3H5NO2S-2 (119.0041)


   

2,3-Dihydroxy-2-methylpropanoate

2,3-Dihydroxy-2-methylpropanoate

C4H7O4- (119.0344)


   

3-Methylthiopropanaldoxime

3-Methylthiopropanaldoxime

C4H9NOS (119.0405)


   

(2S)-2-amino-3-sulfidopropanoate

(2S)-2-amino-3-sulfidopropanoate

C3H5NO2S-2 (119.0041)


   

Hydroxymalonate(1-)

Hydroxymalonate(1-)

C3H3O5- (118.998)


   

3-aci-Nitropropionic acid

3-aci-Nitropropionic acid

C3H5NO4 (119.0219)


   

N-Acetylcysteamine

Acetamide,N-(2-mercaptoethyl)-

C4H9NOS (119.0405)


A member of the class of acetamides that is the N-acetyl-deriavtive of cysteamine.

   

Benzoxazole

Benzoxazole

C7H5NO (119.0371)


   

1,2-benzoxazole

1,2-Benzisoxazole

C7H5NO (119.0371)


   

L-cysteinate(2-)

L-cysteinate(2-)

C3H5NO2S (119.0041)


The L-enantiomer of cysteinate(2-).

   

D-cysteinate(2-)

D-cysteinate(2-)

C3H5NO2S (119.0041)


The D-enantiomer of cysteinate(2-).

   

cysteinate(2-)

cysteinate(2-)

C3H5NO2S (119.0041)


   

3-Nitropropanoic acid

3-Nitropropanoic acid

C3H5NO4 (119.0219)


A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.

   

n-(2-sulfanylethyl)ethanimidic acid

n-(2-sulfanylethyl)ethanimidic acid

C4H9NOS (119.0405)


   

3-(methylsulfanyl)propanimidic acid

3-(methylsulfanyl)propanimidic acid

C4H9NOS (119.0405)