Exact Mass: 198.0117
Exact Mass Matches: 198.0117
Found 500 metabolites which its exact mass value is equals to given mass value 198.0117,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nitrofurazone
Nitrofurazone is only found in individuals that have used or taken this drug. It is a topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial wounds, burns, ulcers, and skin infections. Nitrofurazone has also been administered orally in the treatment of trypanosomiasis. [PubChem]The exact mechanism of action is unknown. Nitrofurazone inhibits several bacterial enzymes, especially those involved in the aerobic and anaerobic degradation of glucose and pyruvate. This activity is believed also to affect pyruvate dehydrogenase, citrate synthetase, malate dehydrogenase, glutathione reductase, and pyruvate decarboxylase. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01C - Agents against leishmaniasis and trypanosomiasis > P01CC - Nitrofuran derivatives B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AF - Nitrofuran derivatives D - Dermatologicals > D09 - Medicated dressings > D09A - Medicated dressings > D09AA - Medicated dressings with antiinfectives S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives D000890 - Anti-Infective Agents
3-Dechloroethylifosfamide
3-Dechloroethylifosfamide is an inactive metabolite of the antitumour, alkylating drug Ifosfamide. It is a member of the compound class called oxazaphosphorines Oxazaphosphorines are any saturated six-membered heterocycle containing three carbon atoms and one each of oxygen, nitrogen and phosphorus, especially one in which the phosphorus atom is linked to both the nitrogen and oxygen atoms. It is formed from its side-chain oxidation leading to the liberation of chloroacetaldehyde (PMID: 9054957). 3-dechloroethylifosfamide can be biosynthesized from ifosfamide through the action of several CYP450 enzymes including CYP3A4, CYP3A5, and CYP2B6 (PMID: 15875221). The duration of ifosfamide infusion influences the amount of 3-dechloroethylifosfamide that is produced (PMID: 11408362). 3-dechloroethylifosfamide is only found in individuals who have consumed or received the drug Ifosfamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-Dechloroethylifosfamide
2-Dechloroethylifosfamide is a metabolite of the antitumor, alkylating drug Ifosfamide. 2-dechloroethylifosfamide is a member of the compound class known as oxazaphosphorines. Oxazaphosphorines are any saturated six-membered heterocycle containing three carbon atoms and one each of oxygen, nitrogen and phosphorus, especially one in which the phosphorus atom is linked to both the nitrogen and oxygen atoms. 2-dechloroethylifosfamide can be biosynthesized from ifosfamide through the action of cytochrome P450 enzymes including CYP3A4, CYP3A5, and CYP2B6 (PMID: 15875221). 2-dechloroethylifosfamide is only found in individuals who have consumed or received the drug Ifosfamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
4,6-Dinitro-O-cresol
CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4289; ORIGINAL_PRECURSOR_SCAN_NO 4287 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4377 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4288; ORIGINAL_PRECURSOR_SCAN_NO 4286 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4314; ORIGINAL_PRECURSOR_SCAN_NO 4311 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4293; ORIGINAL_PRECURSOR_SCAN_NO 4289 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4281; ORIGINAL_PRECURSOR_SCAN_NO 4279 D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Dihydroxyacetone Phosphate Acyl Ester
1-acylglycerone 3-phosphate is found in the glycerophospholipid metabolism and ether lipid metabolism pathways. In the glycerophospholipid metabolism pathway, 1-acylglycerone 3-phosphate is created from glycerone phosphate, a reaction catalyzed by glyceronephosphate O-acyltransferase [EC:2.3.1.42]. 1-acylglycerone 3-phosphate is then converted to 1-acyl-sn-3-glycercol-phosphate or enters ether lipid metabolism. The conversion to 1-acyl-sn-3-glycercol-phosphate is catalyzed by 1-acylglycerone phosphate reductase [EC:1.1.1.101]. Within the ether lipid metabolism pathway, 1-acylglycerone 3-phosphate is converted to 1-alkyl-glycerone-3-phosphate through the action of alkyldihydroxyacetonephosphate synthase [EC:2.5.1.26]. 1-acylglycerone 3-phosphate is found in the glycerophospholipid metabolism and ether lipid metabolism pathways.
4-Methyldibenzothiophene
4-Methyldibenzothiophene is a constituent of the rhizomes of rhubarb (Rheum palmatum) and starfruit aroma. Constituent of the rhizomes of rhubarb (Rheum palmatum) and starfruit aroma
(±)-Sulfobutanedioic acid
(±)-Sulfobutanedioic acid is present in can-end cements. Present in can-end cements
2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dihydro-2-furanyl)-5-fluoro-
7-Aminobenzo[d]isothiazol-3(2H)-one 1,1-dioxide
4-maleyl-acetoacetate
4-maleyl-acetoacetate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 4-maleyl-acetoacetate can be found in a number of food items such as grass pea, vanilla, burdock, and pomegranate, which makes 4-maleyl-acetoacetate a potential biomarker for the consumption of these food products.
2-(methylsulfanyl)thieno[3,2-d]pyrimidin-4(1h)-one
(E)-2-(1-propynyl)-5-(3,5-hexadien-1-ynyl)-thiophene|2-(3,5-Hexadien-1-ynyl)-5-(1-propynyl)thiophene|2-Propin-(1)-yl-5-hexadien-(3,5)-in-(1)-yl-thiophen|5-(Prop-1-in-yl)-2-(hexa-3,5-dien-1-in-yl)-thiophen|5--2--thiophen
2-(Buten-(3)-in-(1)-yl)-5-(penten-(3)-in-(1)-yl)-trans-thiophen|2--5--trans-thiophen|trans-5--2--thiophen
4,5-Dihydroxyisophthalic acid
A hydroxybenzoic acid that is isophthalic acid (benzene-1,3-dicarboxylic acid) in which the hydrogens at positions 4 and 5 have been replaced by hydroxy groups. An inhibitor of brain glutamate decarboxylase.
4-Oxo-4H-pyran-2,6-dicarboxylic acid 2-methyl ester
2-Phenyl-5-(1-propynyl)-thiophene|2-Phenyl-5-(1-propynyl)thiophene|2-Phenyl-5-prop-1-inyl-thiophen|2-phenyl-5-prop-1-ynyl-thiophene|2-Phenyl-5-propin-(1)-yl-thiophen|5-Phenyl-2--thiophen|5-phenyl-2-propynylthiophene
Sodium ascorbate
Minute crystals or white powder. pH of aqueous solutions 5.6 to 7.0 or even higher (a 10\\\\% solution, made from a commercial grade, may have a pH of 7.4 to 7.7). (NTP, 1992) Sodium ascorbate is an organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ascorbic acid by a sodium ion. It has a role as a food antioxidant, a flour treatment agent, a coenzyme, a plant metabolite, a human metabolite, a Daphnia magna metabolite and a reducing agent. It is an organic sodium salt and a vitamin C. It contains a L-ascorbate. A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant. See also: Ascorbic Acid (has active moiety) ... View More ... An organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ascorbic acid by a sodium ion. D020011 - Protective Agents > D000975 - Antioxidants D018977 - Micronutrients > D014815 - Vitamins L-Ascorbic acid sodium salt (Sodium ascorbate), an electron donor, is an endogenous antioxidant agent. L-Ascorbic acid sodium salt selectively inhibits Cav3.2 channels with an IC50 of 6.5 μM. L-Ascorbic acid sodium salt is also a collagen deposition enhancer and an elastogenesis inhibitor[1][2][3]. L-Ascorbic acid sodium salt (Sodium ascorbate), an electron donor, is an endogenous antioxidant agent. L-Ascorbic acid sodium salt selectively inhibits Cav3.2 channels with an IC50 of 6.5 μM. L-Ascorbic acid sodium salt is also a collagen deposition enhancer and an elastogenesis inhibitor[1][2][3].
Dinitro-ortho-cresol
D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3120
Nitrofurazone
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01C - Agents against leishmaniasis and trypanosomiasis > P01CC - Nitrofuran derivatives B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AF - Nitrofuran derivatives D - Dermatologicals > D09 - Medicated dressings > D09A - Medicated dressings > D09AA - Medicated dressings with antiinfectives S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives D000890 - Anti-Infective Agents CONFIDENCE standard compound; INTERNAL_ID 1286; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2678; ORIGINAL_PRECURSOR_SCAN_NO 2674 CONFIDENCE standard compound; INTERNAL_ID 1286; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2695; ORIGINAL_PRECURSOR_SCAN_NO 2692 CONFIDENCE standard compound; INTERNAL_ID 1286; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2685; ORIGINAL_PRECURSOR_SCAN_NO 2682 CONFIDENCE standard compound; INTERNAL_ID 1286; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2680; ORIGINAL_PRECURSOR_SCAN_NO 2676 CONFIDENCE standard compound; INTERNAL_ID 1286; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2704; ORIGINAL_PRECURSOR_SCAN_NO 2701 CONFIDENCE standard compound; INTERNAL_ID 1286; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2698; ORIGINAL_PRECURSOR_SCAN_NO 2695
2-(hexa-3E,5-dien-1-yn-1-yl)-5-(prop-1-yn-1-yl)thiophene
1,3,4-Thiadiazolidine-2-sulfonamide,5-(methylamino)-(9CI)
(1-(4-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)METHANOL
(6,7-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)-ACETIC ACID
METHYL 4-METHYL-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde
1-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHANAMINE DIHYDROCHLORIDE
METHYL 6-METHYL-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE
2-(4-(METHYLTHIO)PHENYL)-2-OXOACETALDEHYDE HYDRATE
(TETRAHYDRO-2H-PYRAN-4-YL)METHANESULFONYL CHLORIDE
Methyl 2-amino-4-cyclopropylthiazole-5-carboxylate
Imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
1-(6-chloro-5H-imidazo[2,1-b][1,3]oxazin-3-yl)ethanone
N-(3-CHLORO-PHENYL)-2-[(E)-HYDROXYIMINO]-ACETAMIDE
IMIDAZO[1,2-A]PYRIDINE-5-CARBOXYLIC ACID HYDROCHLORIDE
Imidazo[1,2-A]Pyridine-2-Carboxylic Acid Hydrochloride
7-(Chloromethyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine
5-OXO-3,5-DIHYDRO-2H-THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLIC ACID
1-(2,2,2-TRIFLUOROETHYL)-3-(TRIFLUOROMETHYL)BENZENE
DIHYDRO-1-METHYL-3-(2-PROPEN-1-YL)-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE
4-Amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfinic acid
Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene)-
7-Chloro-3-(2-hydroxyethyl)-1H-pyrazolo[4,3-d]pyrimidine
6-bromo-2-(3-fluorophenyl)imidazo[1,2-a]pyrimidine
(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylic acid
Thieno[3,2-c]pyridine-2-carboxylic acid, 3-amino-4,5,6,7-tetrahydro- (9CI)
2-METHYL-1-(1-METHYL-1H-IMIDAZOL-2-YL)PROPYL]AMINE
3-chloro-5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
1H-Benzimidazole,2-(chlorofluoromethyl)-5-methyl-(9CI)
5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid
2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester
6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid
Thiazolo[5,4-b]pyridine-2(1H)-thione, 5-methoxy- (9CI)
4-Methyl-1-piperazinecarbonyl chloride hydrochloride
trans-2-(3,4-difluorophenyl) cyclopropanecarboxylic acid
PotassiuM (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylate
Tetrahydro-2-thioxo-5-(trifluoromethyl)-4(1H)-pyrimidinone
3-(Methylthio)-6,7-dihydrobenzo[c]thiophen-4(5H)-one
2-(2,5-Difluorophenyl)-cyclopropanecarboxylic acid
3-(alpha-aminoethyl)-5-methyl-4H-1,2,4-triazole dihydrochloride
5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXYLIC ACID
4-Azidobenzenesulfonamide
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Thiazolo[5,4-d]pyrimidine, 5-amino-2-(methylthio)-
4-fumarylacetoacetate(2-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
D-erythrose 4-phosphate(2-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate
cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate
cis-3,4-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate
2,3-dideoxy-beta-D-ribose 5-phosphate
A 2,3-dideoxyribose phosphate that is the 2,3-dideoxy analogue of beta-D-ribofuranose 5-phosphate.
(2S)-2-[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]propane-1,2-diol
L-erythrulose 4-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of L-erythrulose 4-phosphate. Major structure at pH 7.3.
2-Dechloroethylifosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Dechloroethylcyclophosphamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
4-fumarylacetoacetate(2-)
A dicarboxylic acid dianion resuting from removal of a proton from both carboxy groups of 4-fumarylacetoacetic acid.
D-erythrulose 4-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-erythrulose 4-phosphate. Major structure at pH 7.3.
L-DABA (hydrobromide)
L-DABA (L-2,4-Diaminobutyric acid) hydrobromide is a week GABA transaminase inhibitor with an IC50 of larger than 500 μM; exhibits antitumor activity in vivo and in vitro.
