Exact Mass: 112.03244120000001

Exact Mass Matches: 112.03244120000001

Found 98 metabolites which its exact mass value is equals to given mass value 112.03244120000001, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Pyridazine-3,6-diol

1,2,3,6-tetrahydropyridazine-3,6-dione

C4H4N2O2 (112.02727639999999)


D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

Uracil

1,2,3,4-tetrahydropyrimidine-2,4-dione

C4H4N2O2 (112.0272764)


Uracil, also known as U, belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Uracil is a common naturally occurring pyrimidine found in RNA. It base pairs with adenine and is replaced by thymine in DNA. Uracil is one of the four nucleobases in RNA that are represented by the letters A, G, C and U. Methylation of uracil produces thymine. The name "uracil" was coined in 1885 by the German chemist Robert Behrend, who was attempting to synthesize derivatives of uric acid. Originally discovered in 1900, uracil was isolated by hydrolysis of yeast nuclein that was found in bovine thymus and spleen, herring sperm, and wheat germ. Uracil exists in all living species, ranging from bacteria to plants to humans. Uracils use in the body is to help carry out the synthesis of many enzymes necessary for cell function through bonding with riboses and phosphates. Uracil serves as an allosteric regulator and a coenzyme for many important biochemical reactions. Uracil (via the nucleoside uridine) can be phosphorylated by various kinases to produce UMP, UDP and UTP. UDP and UTP regulate carbamoyl phosphate synthetase II (CPSase II) activity in animals. Uracil is also involved in the biosynthesis of polysaccharides and in the transport of sugars containing aldehydes. Within humans, uracil participates in a number of enzymatic reactions. In particular, uracil and ribose 1-phosphate can be biosynthesized from uridine; which is mediated by the enzyme uridine phosphorylase 2. In addition, uracil can be converted into dihydrouracil through the action of the enzyme dihydropyrimidine dehydrogenase [NADP(+)]. Uracil is rarely found in DNA, and this may have been an evolutionary change to increase genetic stability. This is because cytosine can deaminate spontaneously to produce uracil through hydrolytic deamination. Therefore, if there were an organism that used uracil in its DNA, the deamination of cytosine (which undergoes base pairing with guanine) would lead to formation of uracil (which would base pair with adenine) during DNA synthesis. Uracil can be used for drug delivery and as a pharmaceutical. When elemental fluorine reacts with uracil, it produces 5-fluorouracil. 5-Fluorouracil is an anticancer drug (antimetabolite) that mimics uracil during the nucleic acid (i.e. RNA) synthesis and transcription process. Because 5-fluorouracil is similar in shape to, but does not undergo the same chemistry as, uracil, the drug inhibits RNA replication enzymes, thereby blocking RNA synthesis and stopping the growth of cancerous cells. Uracil is a common and naturally occurring pyrimidine derivative. Originally discovered in 1900, it was isolated by hydrolysis of yeast nuclein that was found in bovine thymus and spleen, herring sperm, and wheat germ. It is a planar, unsaturated compound that has the ability to absorb light. Uracil. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=66-22-8 (retrieved 2024-07-01) (CAS RN: 66-22-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.

   
   
   

2,5-Dimethylthiophene

2,5-Dimethyl-thiophene

C6H8S (112.03466879999999)


2,5-Dimethylthiophene is found in garden onion. 2,5-Dimethylthiophene is an odorant used in food flavouring. Odorant used in food flavouring. 2,5-Dimethylthiophene is found in garden onion and soft-necked garlic.

   

2,4-Dimethylthiophene

thiophene, 2,4-dimethyl-

C6H8S (112.03466879999999)


2,4-Dimethylthiophene is found in garden onion. 2,4-Dimethylthiophene is a constituent of Allium species. Also found in various cooked foods. 2,4-Dimethylthiophene is an odorant used in food flavouring. Constituent of Allium subspecies. Also found in various cooked foods. Odorant used in food flavouring.

   

2,3-Dimethylthiophene

thiophene, 2,3-dimethyl-

C6H8S (112.03466879999999)


2,3-Dimethylthiophene is found in garden onion. 2,3-Dimethylthiophene is an odorant used in food flavouring. Odorant used in food flavouring. 2,3-Dimethylthiophene is found in garden onion.

   

3,4-Dimethylthiophene

3,4-Dimethyl-thiophene

C6H8S (112.03466879999999)


3,4-Dimethylthiophene is found in garden onion. 3,4-Dimethylthiophene is an odorant used in food flavouring. Odorant used in food flavouring. 3,4-Dimethylthiophene is found in garden onion.

   

2-Ethylthiophene

2-Ethyl-thiophene

C6H8S (112.03466879999999)


2-Ethylthiophene is found in animal foods. 2-Ethylthiophene is a maillard product; present in roast meat arom Maillard product; present in roast meat aroma. 2-Ethylthiophene is found in animal foods and guava.

   

3-Ethylthiophene

3-Ethyl-thiophene

C6H8S (112.03466879999999)


3-Ethylthiophene is found in animal foods. 3-Ethylthiophene is a maillard product; present in roast meat arom Maillard product; present in roast meat aroma. 3-Ethylthiophene is found in animal foods.

   

4-Carboxypyrazole

1H-pyrazole-4-carboxylic acid

C4H4N2O2 (112.02727639999999)


4-Carboxypyrazole is a metabolite of fomepizole. Fomepizole or 4-methylpyrazole is indicated for use as an antidote in confirmed or suspected methanol or ethylene glycol poisoning. It may be used alone or in combination with hemodialysis. Apart from medical uses, the role of 4-methylpyrazole in coordination chemistry has been studied. (Wikipedia) 4-Carboxypyrazole is an endogenous metabolite.

   

1H-1,2,4-Triazole-3-carboxamide

1H-1,2,4-triazole-5-carboxamide

C3H4N4O (112.0385094)


   

3-Methyl-2-cyclopentene-1-thione

3-Methyl-2-cyclopentene-1-thione

C6H8S (112.03466879999999)


3-methyl-2-cyclopentene-1-thione is a member of the class of compounds known as thioketones. Thioketones are compounds in which the oxygen of a ketone has been replaced by divalent sulfur R2C=S ( R not H ). Thioketones that have an alpha-hydrogen interconvert with Thioenols. Moreover, they interconvert with thioaldehydes. 3-methyl-2-cyclopentene-1-thione is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-methyl-2-cyclopentene-1-thione can be found in soft-necked garlic, which makes 3-methyl-2-cyclopentene-1-thione a potential biomarker for the consumption of this food product.

   
   
   
   

acetylene dicarboxamide|acetylene dicarboxylic acid diamide|acetylene dicarboxylic diamide|acetylene-dicarboxamide|Acetylenedicarbonitrile|acetylenedicarboxamide|acetylenedicarboxylic acid diamide

acetylene dicarboxamide|acetylene dicarboxylic acid diamide|acetylene dicarboxylic diamide|acetylene-dicarboxamide|Acetylenedicarbonitrile|acetylenedicarboxamide|acetylenedicarboxylic acid diamide

C4H4N2O2 (112.02727639999999)


   
   

Uracil

Uracil-5-d

C4H4N2O2 (112.02727639999999)


A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ISAKRJDGNUQOIC_STSL_0177_Uracil_8000fmol_180430_S2_LC02_MS02_198; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.

   
   
   
   
   

1,2,4-Triazole-3-carboxamide

2H-1,2,4-Triazole-3-carboxamide

C3H4N4O (112.0385094)


A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin.

   
   
   

3,4-Dimethylthiophene

3,4-Dimethyl-thiophene

C6H8S (112.03466879999999)


A thiophene that is substituted by methyl groups at positions 3 and 4.

   

Histaminol

2-Ethyl-thiophene

C6H8S (112.03466879999999)


   
   
   
   
   
   

4-Methyl-1,2,5-oxadiazole-3-carbaldehyde

4-Methyl-1,2,5-oxadiazole-3-carbaldehyde

C4H4N2O2 (112.02727639999999)


   
   

1H-1,2,4-Triazole-1-carboxamide

1H-1,2,4-Triazole-1-carboxamide

C3H4N4O (112.0385094)


   
   

2-OXO-2,3-DIHYDRO-1H-IMIDAZOLE-4-CARBALDEHYDE

2-OXO-2,3-DIHYDRO-1H-IMIDAZOLE-4-CARBALDEHYDE

C4H4N2O2 (112.02727639999999)


   

3-methyl-1,2,4-oxadiazole-5-carbaldehyde

3-methyl-1,2,4-oxadiazole-5-carbaldehyde

C4H4N2O2 (112.02727639999999)


   
   

OXAZOLE-2-CARBOXYLIC ACID AMIDE

OXAZOLE-2-CARBOXYLIC ACID AMIDE

C4H4N2O2 (112.02727639999999)


   
   

Uracil C-13, 2-

1H-pyrimidine-2,4-dione-13C

C4H4N2O2 (112.02727639999999)


   
   
   
   

1H-1H-pyrimidine-2,4-dione-15N2

1H-1H-pyrimidine-2,4-dione-15N2

C4H4N2O2 (112.02727639999999)


   
   

1,2,4-Oxadiazole-3-carboxaldehyde, 5-Methyl-

1,2,4-Oxadiazole-3-carboxaldehyde, 5-Methyl-

C4H4N2O2 (112.02727639999999)


   
   
   

1,3,4-Oxadiazole-2-carboxaldehyde, 5-methyl- (9CI)

1,3,4-Oxadiazole-2-carboxaldehyde, 5-methyl- (9CI)

C4H4N2O2 (112.02727639999999)


   
   
   
   
   
   

N-HYDROXY-2-OXOPROPANIMIDOYL CYANIDE

N-HYDROXY-2-OXOPROPANIMIDOYL CYANIDE

C4H4N2O2 (112.02727639999999)


   
   

3-Furylboronic acid

3-Furylboronic acid

C4H5BO3 (112.033173)


   

2-Furanboronic acid

2-Furanboronic acid

C4H5BO3 (112.033173)


   

sodium,butane-1-thiolate

sodium,butane-1-thiolate

C4H9NaS (112.0322634)


   

A-OXO-4-PYRIDINEPROPANOICACIDETHYLESTER

A-OXO-4-PYRIDINEPROPANOICACIDETHYLESTER

C4H4N2O2 (112.02727639999999)


   

5-METHYLENEIMIDAZOLIDINE-2,4-DIONE

5-METHYLENEIMIDAZOLIDINE-2,4-DIONE

C4H4N2O2 (112.02727639999999)


   

4,6(1H,5H)-Pyrimidinedione(7ci,8ci,9ci)

4,6(1H,5H)-Pyrimidinedione(7ci,8ci,9ci)

C4H4N2O2 (112.02727639999999)


   

Sodium 2-methyl-2-propanethiolate

Sodium 2-methyl-2-propanethiolate

C4H9NaS (112.0322634)


   
   

Cellocidin

Cellocidin

C4H4N2O2 (112.02727639999999)


A dicarboxylic acid diamide resulting from the formal condensation of both of the carboxy groups of butynedioic acid with ammonia. An antibacterial agent produced by Streptomyces chibaensis.

   

POTASSIUM SEC-BUTOXIDE

POTASSIUM SEC-BUTOXIDE

C4H9KO (112.0290444)


   
   
   
   

3,4-DIAMINOCYCLOBUT-3-ENE-1,2-DIONE

3,4-DIAMINOCYCLOBUT-3-ENE-1,2-DIONE

C4H4N2O2 (112.02727639999999)


   

potassium t-butoxide

potassium t-butoxide

C4H9KO (112.0290444)


   

O-(2-aminoethyl)hydroxylamine,hydrochloride

O-(2-aminoethyl)hydroxylamine,hydrochloride

C2H9ClN2O (112.04033740000001)


   
   

2H-1,2,4-Triazole-3-carboxamide

2H-1,2,4-Triazole-3-carboxamide

C3H4N4O (112.0385094)


   

Pirod

InChI=1\C4H4N2O2\c7-3-1-2-5-4(8)6-3\h1-2H,(H2,5,6,7,8

C4H4N2O2 (112.02727639999999)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.

   

638-00-6

thiophene, 2,4-dimethyl-

C6H8S (112.03466879999999)


   

1795-01-3

THIOPHENE, 3-ETHYL-

C6H8S (112.03466879999999)


   

638-02-8

InChI=1\C6H8S\c1-5-3-4-6(2)7-5\h3-4H,1-2H

C6H8S (112.03466879999999)


   

632-15-5

Thiophene, 3,4-dimethyl-

C6H8S (112.03466879999999)


   

1-Pyrroline-2-carboxylate

1-Pyrroline-2-carboxylate

C5H6NO2- (112.03985159999999)


The anion resulting from the removal of a proton from the carboxylic acid group of 1-pyrroline-2-carboxylic acid.

   

3,4-Dihydro-2H-Pyrrole-2-carboxylate

3,4-Dihydro-2H-Pyrrole-2-carboxylate

C5H6NO2- (112.03985159999999)


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

   

(2S)-3,4-dihydro-2H-pyrrole-2-carboxylate

(2S)-3,4-dihydro-2H-pyrrole-2-carboxylate

C5H6NO2- (112.03985159999999)


   
   

(R)-1-pyrroline-5-carboxylate

(R)-1-pyrroline-5-carboxylate

C5H6NO2- (112.03985159999999)


A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (R)-1-pyrroline-5-carboxylic acid.

   

(2S)-2-(ethynylamino)propanoate

(2S)-2-(ethynylamino)propanoate

C5H6NO2- (112.03985159999999)


   
   

MALEIC HYDRAZIDE

MALEIC HYDRAZIDE

C4H4N2O2 (112.02727639999999)


D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

4-Carboxypyrazole

1H-pyrazole-4-carboxylic acid

C4H4N2O2 (112.02727639999999)


4-Carboxypyrazole is an endogenous metabolite.

   

(S)-1-Pyrroline-5-carboxylate

(S)-1-Pyrroline-5-carboxylate

C5H6NO2 (112.03985159999999)


A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (S)-1-pyrroline-5-carboxylic acid.

   

1-Pyrroline-5-carboxylate

1-Pyrroline-5-carboxylate

C5H6NO2 (112.03985159999999)


A 1-pyrrolinecarboxylate resulting from the removal of the proton from the carboxy group of 1-pyrroline-5-carboxylic acid.

   
   
   
   

1-propenyl-1-propynyl sulfide

NA

C6H8S (112.03466879999999)


{"Ingredient_id": "HBIN002999","Ingredient_name": "1-propenyl-1-propynyl sulfide","Alias": "NA","Ingredient_formula": "C6H8S","Ingredient_Smile": "CC=CSC#CC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34676","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}