Exact Mass: 205.9972
Exact Mass Matches: 205.9972
Found 500 metabolites which its exact mass value is equals to given mass value 205.9972
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,6-Dichloro-4-nitroaniline
CONFIDENCE standard compound; INTERNAL_ID 179; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4225; ORIGINAL_PRECURSOR_SCAN_NO 4224 CONFIDENCE standard compound; INTERNAL_ID 179; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4174; ORIGINAL_PRECURSOR_SCAN_NO 4172 CONFIDENCE standard compound; INTERNAL_ID 179; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4176; ORIGINAL_PRECURSOR_SCAN_NO 4174 CONFIDENCE standard compound; INTERNAL_ID 179; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4190; ORIGINAL_PRECURSOR_SCAN_NO 4188 KEIO_ID D048
Etidronic acid
Etidronic acid is only found in individuals that have used or taken this drug. It is a diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover. [PubChem]Bisphosphonates, when attached to bone tissue, are absorbed by osteoclasts, the bone cells that breaks down bone tissue. Although the mechanism of action of non-nitrogenous bisphosphonates has not been fully elucidated, available data suggest that they bind strongly to hydroxyapatite crystals in the bone matrix, preferentially at the sites of increased bone turnover and inhibit the formation and dissolution of the crystals. Other actions may include direct inhibition of mature osteoclast function, promotion of osteoclast apoptosis, and interference with osteoblast-mediated osteoclast activation. Etidronic acid does not interfere with bone mineralization. In malignancy-related hypercalcemia, etidronic acid decreases serum calcium by inhibiting tumour-induced bone resorption and reducing calcium flow from the resorbing bone into the blood. Etidronic acid also reduces morbidity of osteolytic bone metastases by inhibiting tumour-induced bone resorption. Etidronic acid may promote osteoclast apoptosis by competing with adenosine triphosphate (ATP) in the cellular energy metabolism. The osteoclast initiates apoptosis and dies, leading to an overall decrease in the breakdown of bone. Food contaminant arising from its use as a boiler water additive for prepn. of steam used in food processing. Component of antimicrobial washes for poultry carcasses and fruit M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates KEIO_ID E010
2-Methylcitric acid
Methylcitric acid (MCA) is elevated in body fluids of patients with propionic acidaemia (PA; OMIM 232000, 232050), methylmalonic aciduria (MMA; OMIM 251000, 251120) and multiple carboxylase deficiency (OMIM 253260, 253270), which are inherited disorders. MCA is formed by condensation of accumulated propionyl- CoA and oxalacetate by the enzyme si-citrate synthase (EC 4.1.3.7). MCA molecule has two stereogenic centers so that it can occur in the form of four stereoisomers. Only two stereoisomers of MCA, (2S, 3S) and (2R, 3S), were found in human urine (PMID: 17295121). Methylcitric acid (MCA) is elevated in body fluids of patients with propionic acidaemia (PA; OMIM 232000, 232050), methylmalonic aciduria (MMA; OMIM 251000, 251120) and multiple carboxylase deficiency (OMIM 253260, 253270). MCA is formed by condensation of accumulated propionyl- CoA and oxalacetate by the enzyme si-citrate synthase (EC 4.1.3.7). MCA molecule has two stereogenic centers so that it can occur in the form of four stereoisomers. Only two stereoisomers of MCA, (2S, 3S) and (2R, 3S), were found in human urine. (PMID: 17295121) [HMDB] 2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1]. 2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1]. 2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1].
Homocitric acid
Homocitric acid (CAS: 3562-74-1) is a normal urinary organic acid (PMID: 14708889). Homocitric acid is a citric acid analogue found as a minor metabolite in urine samples from patients with propionic acidaemia. Homocitric acid is formed by citrate synthase due to propionyl-CoA carboxylase deficiency (by the citrate synthase condensation reaction of alpha-ketoglutarate with acetyl coenzyme A and propionyl coenzyme A) (PMID: 7850997). Homocitric acid has been identified in the human placenta (PMID: 32033212). Homocitric acid is a normal urinary organic acid. (PMID: 14708889)
Methylisocitric acid
Methylisocitric acid is a product of bacterial metabolism in the gut. It can be produced by 2-methylisocitrate lyase and by 2-methylisocitrate dehydratase. Methylisocitric acid has also been found to be a metabolite of Candida (https://www.tandfonline.com/doi/pdf/10.1080/00021369.1974.10861293). Methylisocitric acid is a product of bacterial metabolism in the gut. It can be produced by 2-methylisocitrate lyase and by 2-methylisocitrate dehydratase. [HMDB]
2-Chloro-5-methylmaleylacetate
This compound belongs to the family of Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain
3-Chloro-2-methylmaleylacetate
This compound belongs to the family of Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain
4-(phosphooxymethyl)-2-furancarboxaldehyde
A member of the class of furans that is 2-furfural substituted at position 4 by a phosphooxymethyl group.
Methyl (Z)-5-(1-propynyl)-2-thienylacrylate
Methyl (Z)-5-(1-propynyl)-2-thienylacrylate is found in herbs and spices. Methyl (Z)-5-(1-propynyl)-2-thienylacrylate is isolated from Tanacetum vulgare (tansy Isolated from Tanacetum vulgare (tansy). Methyl (Z)-5-(1-propynyl)-2-thienylacrylate is found in herbs and spices.
Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate
Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate is found in herbs and spices. Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate is isolated from roots of Artemisia vulgaris (mugwort) and Anthemis nobilis (Roman chamomile). Isolated from roots of Artemisia vulgaris (mugwort) and Anthemis nobilis (Roman chamomile). Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate is found in herbs and spices.
5-Sulfoxymethylfurfural
5-Sulfoxymethylfurfural belongs to the family of Sulfuric Acid Monoesters. These are organic compounds containing the sulfuric acid monoester functional group
3-(Carboxymethyl)-3-hydroxypentanedioic acid
3-(Carboxymethyl)-3-hydroxypentanedioic acid belongs to the family of Tricarboxylic Acids and Derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof)
Pyrogallol-1-O-sulphate
Pyrogallol-1-O-sulphate is a conjugate of Pyrogallol and sulphate.Pyrogallol or benzene-1,2,3-triol is a benzenetriol. The aquatic plant Myriophyllum spicatum produces pyrogallic acid. (Wikipedia). Pyrogallol sulfate in the urine is a biomarker for the consumption of legumes.
Pyrogallol-2-O-sulphate
Pyrogallol-2-O-sulphate is a conjugate of Pyrogallol and sulphate. Pyrogallol or benzene-1,2,3-triol is a benzenetriol. The aquatic plant Myriophyllum spicatum produces pyrogallic acid. (Wikipedia)
2-Hydroxy-4-trifluoromethyl benzoic acid
2-Hydroxy-4-trifluoromethyl benzoic acid is a metabolite of triflusal. Triflusal is a platelet aggregation inhibitor that was discovered and developed in the Uriach Laboratories, and commercialised in Spain since 1981. Currently, it is available in 25 countries in Europe, Asia, Africa and America. It is a drug of the salicylate family but it is not a derivative of acetylsalicylic acid (ASA). Trade names include Disgren, Grendis, Aflen and Triflux (Wikipedia) D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
[(5-methyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
Saccharin sodium
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents Sweetener
2-Methyl-3-furyl methylthiomethyl disulfide
It is used as a food additive .
6-(4-Methylmercapto-penten-(3)-in-(1)-yl)-alpha-pyron|6-<4-Methylmercapto-penten-(3)-in-(1)-yl>-alpha-pyron
trans,trans-4-(3-Methylmercapto-hexen-(2)-in-(4)-yliden)-butenolid|trans,trans-4-<3-Methylmercapto-hexen-(2)-in-(4)-yliden>-butenolid
5-<(Z)-5-Methylmercapto-hex-4c-en-2-in-yliden>-5H-furan-2-on|trans-4-(5-Methylmercapto-hexen-cis-(4)-in-(2)-yliden)-butenolid|trans-4-<5-Methylmercapto-hexen-cis-(4)-in-(2)-yliden>-butenolid
7-Hydroxy-2-oxo-2H-chromen-8-carbonsaeure|7-hydroxy-2-oxo-2H-chromene-8-carboxylic acid|7-Hydroxy-8-carboxy-cumarin|8-carboxy-7-hydroxycoumarin
6-[4-(Methylthio)-1,2,3-pentatrienyl]-2H-pyran-2-one
3,5-DICHLOROSALICYLIC ACID
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Methyl citrate
2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid is a carbonyl compound. 2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid is a natural product found in Opuntia ficus-indica with data available. Methyl citrate is a Monoamine oxidase B (MAO-B) inhibitor (IC50=0.23 mM). Methyl citrate is isolated from the fruits of Opuntia ficus-indica var. saboten Makino[1].
2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid
2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based on: CCMSLIB00000848116]
2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based: Match]
Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate
Methyl (Z)-5-(1-propynyl)-2-thienylacrylate
5-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura
1,2,3,4-TETRAHYDRO-2,7-NAPHTHYRIDINE DIHYDROCHLORIDE
6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride
5-butan-2-ylsulfanyl-3H-1,3,4-thiadiazole-2-thione
5-chloro-2-methyl-6-phenyl-2,3-dihydropyridazin-3-one
1-methyl-3-propyl-1,2-dihydroimidazol-1-ium,bromide
1H-Indol-6-amine,2,3-dihydro-, hydrochloride (1:2)
3-Chloro-5-(trifluoromethyl)-2-pyridinecarbonitrile
2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE-5-CARBOXYLIC ACID
2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
METHYL 4-(TRIFLUOROMETHYL)PYRIMIDINE-2-CARBOXYLATE
2,2,2-trifluoro-1-(5-fluoro-2-methylphenyl)ethanone
5-amino-2-(trifluoromethyl)pyridine-4-carboxylic acid
3,6-Dichlorosalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
6-Quinoxalinecarboxylicacid, 1,2,3,4-tetrahydro-2,3-dioxo-
2-Chloro-6-(trifluoromethyl)-4-pyridinecarbonitrile
5,6,7,8-TETRAHYDRO-1,7-NAPHTHYRIDINE DIHYDROCHLORIDE
4-Thiazolecarboxylicacid,2-amino-5-chloro-,ethylester(9CI)
2-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylic acid
4-(3-chloro-1H-pyridazin-6-ylidene)cyclohexa-2,5-dien-1-one
Ethanone,2,2,2-trifluoro-1-(4-mercaptophenyl)-(9CI)
1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1-methylethyl)-
2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid
Benzo[b]thiophene-2-carboxylicacid, 3-methyl-, methyl ester
Thieno[3,2-c]pyridine-3-carbonitrile, 2-(methylthio)- (9CI)
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanone
WR-1065
Amifostine thiol (WR-1065) dihydrochloride can protect normal tissues from the toxic effects of certain cancer agents and activate p53 through a JNK-dependent signaling pathway.
2-Butenedioic acid,2-chloro-, diethyl ester, (2Z)- (9CI)
5-(2-methylpropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
7-AMINO-6-CYANO-2-(METHYLTHIO)-1,2,4-TRIAZOLO(1,5-A)PYRIMIDINE
7-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
4-Chloro-N-methylpyridine-2-carboxamide hydrochloride
3-(Trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
2,4,5-TRIFLUORO-3-HYDROXYBENZOIC ACID METHYL ESTER
1,3-DICHLORO-1,3-DIETHYLDIALUMINOXANE, 1 0 WT. SOLUTION IN TOLUENE
4-Methyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid
4-AMINO-2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
2-METHYL-6-(TRIFLUOROMETHYL)IMIDAZO[2,1-B]THIAZOLE
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
6-chloro-5,6-dihydroimidazo[1,5-a]pyrido[3,2-e]pyrazine
4,6-dioxo-1,5-dihydro-1,5-naphthyridine-3-carboxylic acid
1-(5-CHLORO-2-PYRIDINYL)-1H-PYRROLE-2-CARBALDEHYDE
1,4-dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
2-(Trifluoromethoxy)benzoic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
POTASSIUM TRIFLUORO(5-METHYL-1,3,4-THIADIAZOL-2-YL)BORATE
[(5-methyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
3-(bromomethyl)-5,5-dimethyldihydrofuran-2(3H)-one
Pyrogallol-1-O-sulphate
Pyrogallol-1-O-sulphate is a conjugate of Pyrogallol and sulphate.Pyrogallol or benzene-1,2,3-triol is a benzenetriol. The aquatic plant Myriophyllum spicatum produces pyrogallic acid. (Wikipedia). Pyrogallol sulfate in the urine is a biomarker for the consumption of legumes.
Pyrogallol-2-O-sulphate
Pyrogallol-2-O-sulphate is a conjugate of Pyrogallol and sulphate. Pyrogallol or benzene-1,2,3-triol is a benzenetriol. The aquatic plant Myriophyllum spicatum produces pyrogallic acid. (Wikipedia)
Etidronic acid
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
4-Trifluoromethylsalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
[5-(ammoniomethyl)-3-furyl]methyl phosphate(1-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of [5-(aminomethyl)-3-furyl]methyl phosphate; major species at pH 7.3.
(2Z)-3-bromohept-2-enoic acid
A hept-2-enoic acid carrying a bromo- substituent at C-3.
6-chloro-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
4,6-dichloro-5-methyl-1,3-benzenediol; mono-me ether
{"Ingredient_id": "HBIN010068","Ingredient_name": "4,6-dichloro-5-methyl-1,3-benzenediol; mono-me ether","Alias": "NA","Ingredient_formula": "C8H8Cl2O2","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7905","PubChem_id": "NA","DrugBank_id": "NA"}