Exact Mass: 213.997
Exact Mass Matches: 213.997
Found 500 metabolites which its exact mass value is equals to given mass value 213.997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deoxyribose 5-phosphate
Deoxyribose 5-phosphate is a a metabolite in the pentose phosphate pathway. It can be generated from D-glyceraldehdye-3 phosphate via the enzyme 2-Deoxyribose 5-phosphate aldolase (DERA). Alternately Deoxyribose 5-phosphate can be converted to D-glyceraldehyde-3 phosphate that can then feed into the pentose phosphate pathway. Deoxyribose 5-phosphate can also be generated from 2-Deoxy-D-ribose via the enzyme Ribokinase (EC 2.7.1.15). It has been shown in a number of organisms that deoxynucleosides or deoxyriboses cause the induction of aldolases (such as DERA) involved in their catabolism, leading to the utilisation of the pentose moiety as carbon and energy source. [HMDB] Deoxyribose 5-phosphate is a a metabolite in the pentose phosphate pathway. It can be generated from D-glyceraldehdye-3 phosphate via the enzyme 2-Deoxyribose 5-phosphate aldolase (DERA). Alternately Deoxyribose 5-phosphate can be converted to D-glyceraldehyde-3 phosphate that can then feed into the pentose phosphate pathway. Deoxyribose 5-phosphate can also be generated from 2-Deoxy-D-ribose via the enzyme Ribokinase (EC 2.7.1.15). It has been shown in a number of organisms that deoxynucleosides or deoxyriboses cause the induction of aldolases (such as DERA) involved in their catabolism, leading to the utilisation of the pentose moiety as carbon and energy source. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID D026
Clofibric acid
CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4292; ORIGINAL_PRECURSOR_SCAN_NO 4288 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4647; ORIGINAL_PRECURSOR_SCAN_NO 4645 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4316; ORIGINAL_PRECURSOR_SCAN_NO 4313 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4638; ORIGINAL_PRECURSOR_SCAN_NO 4636 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4622; ORIGINAL_PRECURSOR_SCAN_NO 4620 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4715; ORIGINAL_PRECURSOR_SCAN_NO 4712 D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8547 D009676 - Noxae > D000963 - Antimetabolites
mecoprop-p
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 308
Deoxyribose 1-phosphate
Deoxyribose 1-phosphate is an intermediate in the metabolism of Pyrimidine. It is a substrate for Purine nucleoside phosphorylase and Thymidine phosphorylase. [HMDB] Deoxyribose 1-phosphate is an intermediate in the metabolism of Pyrimidine. It is a substrate for Purine nucleoside phosphorylase and Thymidine phosphorylase. COVID info from COVID-19 Disease Map KEIO_ID D013 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Oxo-3-hydroxy-4-phosphobutanoic acid
2-oxo-3-hydroxy-4-phosphobutanoic acid, also known as (3r)-3-hydroxy-2-oxo-4-phosphonooxybutanoate or alpha-keto-3-hydroxy-4-phosphobutyrate, belongs to short-chain keto acids and derivatives class of compounds. Those are keto acids with an alkyl chain the contains less than 6 carbon atoms. 2-oxo-3-hydroxy-4-phosphobutanoic acid is soluble (in water) and a moderately acidic compound (based on its pKa). 2-oxo-3-hydroxy-4-phosphobutanoic acid can be found in a number of food items such as black-eyed pea, root vegetables, japanese persimmon, and american butterfish, which makes 2-oxo-3-hydroxy-4-phosphobutanoic acid a potential biomarker for the consumption of these food products. 2-oxo-3-hydroxy-4-phosphobutanoic acid exists in all living species, ranging from bacteria to humans. 2-Oxo-3-hydroxy-4-phosphobutanoic acid is involved in the interconversion of O-phospho-4-hydroxy-L-threonine. This reaction is catalyzed by phosphoserine aminotransferase 1. These amino acid derivatives are sometimes considered to be part of the vitamin B6 pathway.
1-Deoxy-D-xylulose 5-phosphate
1-Deoxy-D-xylulose 5-phosphate is a substrate for 2,4-dienoyl-CoA reductase (mitochondrial). [HMDB]. 1-Deoxy-D-xylulose 5-phosphate is found in many foods, some of which are jackfruit, dandelion, italian sweet red pepper, and summer grape. 1-Deoxy-D-xylulose 5-phosphate is a substrate for 2,4-dienoyl-CoA reductase (mitochondrial). It has been found to be a metabolite of Escherichia and Streptomyces (PMID: 10648511; PMID: 9371765).
5-Deoxyribose-1-phosphate
This compound belongs to the family of Pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms
Niridazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Mecoprop
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8420 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
[(3R,4R)-3,4-dihydroxy-2-oxopentyl] dihydrogen phosphate
Deoxyribose 5-monophosphate
Deoxyribose 5-monophosphate is a substrate for: Deoxyribonucleoside 5-monophosphate N-glycosidase.
4-Allylphenol sulfate
4-Allylphenol sulfate, also known as chavicol hydrogen sulfate or p-allylphenyl sulfate, belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-Allylphenol sulfate has been identified in blood (PMID: 26561314).
3,4-Dichloroisocoumarin
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors
Heptafluorobutyric acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
2-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanedial
Dipropyl tetrasulfide
Methylpropyl tetrasulfide, also known as 14-dipropyltetrasulfane, is a member of the class of compounds known as sulfenyl compounds. Sulfenyl compounds are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl). Methylpropyl tetrasulfide can be found in garden onion, which makes methylpropyl tetrasulfide a potential biomarker for the consumption of this food product.
Heptafluorobutyric acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents CONFIDENCE standard compound; INTERNAL_ID 5944
N1-{5-[(Cyanomethyl)thio]-1,3,4-thiadiazol-2-yl}acetamide
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-propanone
(10Z)-10-bromomyrcene|(3Z)-3-bromomethylene-7-methyl-1,6-octadiene|3-(Z)-bromomethylene-7-methyl-octa-1,6-diene
clofibric acid
A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; EAWAG_UCHEM_ID 204
Perfluorobutyric acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2713
Perfluorobutanoic acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents CONFIDENCE standard compound; INTERNAL_ID 2381 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8237
Holomycin
A dithiolopyrrolone antibiotic that is 4,5-dihydro[1,2]dithiolo[4,3-b]pyrrole in which the hydrogens at positions 5 and 6 have been replaced by oxo and acetamido groups, respectively. It is an inhibitor of DNA-dependent RNA polymerase, and exhibits antibacterial and antitumour properties. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
1-Imidazolidinecarbonyl chloride, 3-(2-furanyl)-2-oxo- (9CI)
(4S)-1-METHYL-2,6-DIOXOHEXAHYDRO-4-PYRIMIDINECARBOXYLICACID
2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one
3-METHYL-5-METHYLSULFANYL-4-VINYLTHIOPHENE-2-CARBOXYLIC ACID
5,6-DIHYDROXY-3-(METHOXYCARBONYL)PYRAZINE-2-CARBOXYLIC ACID
2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)propanedinitrile
4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline
5-Nitro-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide
4,6-dichloro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
6,8-DICHLORO-IMIDAZO[1,2-A]PYRIDINE-2-CARBALDEHYDE
5-CHLORO-3-METHYL-1H-1LAMBDA~6-BENZO[B]THIOPHENE-1,1-DIONE
Sodium 3-chloro-2-hydroxypropanesulphonate hemihydrate
3-(Aminomethyl)-5-fluoroindolin-2-one hydrochloride
6-chloro-5-cyano-2-methylpyridine-3-carbonyl chloride
3-HYDROXY-4-(METHYLSULFONYL)TETRAHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE
(5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-ACETICACID
potassium,trifluoro-(4-hydroxy-3-methylphenyl)boranuide
POTASSIUM TRIFLUORO(2-(HYDROXYMETHYL)PHENYL)BORATE
3-Bromo-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine
3-Cyano-4-oxo-1,4-dihydro-6-quinolinecarboxylic acid
5-Chloro-2-cyclopropyl-6-hydroxypyrimidine-4-carboxylic acid
Ethanone, 2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-
1-(4-fluorophenyl)-3,3-bis(sulfanyl)prop-2-en-1-one
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-3-(2-chloroethyl)-
N-Methyl-1-(5-methyl-1,3-thiazol-2-yl)methanamine dihydrochloride
N-Methyl(2-Methylthiazol-4-yl)Methanamine dihydrochloride
(2-CHLORO-PYRIDIN-3-YL)-METHYLAMINE DIHYDROCHLORIDE
3-chloro-5-ethylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraene
(2-amino-4-bromophenyl)dimethylamine(SALTDATA: HCl)
2,4(1H,3H)-Pyrimidinedione,5-chloro-6-(trifluoromethyl)-
5-Chloro-6-fluoro-3-hydroxy-1,8-naphthyridin-2(1H)-one
6-CHLOROISOTHIAZOLO[5,4-B]PYRIDINE-3-CARBOXYLIC ACID
potassium,trifluoro-[3-(hydroxymethyl)phenyl]boranuide
5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
Phosphorodithioic acid,O,O-bis(1-methylethyl) ester
1-(3-BROMO-1,4-DIMETHOXY-NAPHTHALEN-2-YL)-PROPAN-2-OL
Cyclopropanecarbonyl chloride, 1-(4-chlorophenyl)- (9CI)
2-Chloromethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
methyl 2-aminothieno[2,3-d][1,3]thiazole-6-carboxylate
1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBONYL CHLORIDE
Formamide, N-(4,5-dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-N-methyl-
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
(2Z,4Z)-2-hydroxy-4-(2-methoxy-2-oxoethylidene)pent-2-enedioate
2-[Carboxy(hydroxy)phosphoryl]oxy-3-hydroxypropanoic acid
Niridazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-Deoxy-alpha-D-ribose 1-phosphate
The alpha-anomer of 2-deoxy-D-ribofuranose 1-phosphate.
(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate
A 2-oxo monocarboxylic acid that is 2-oxobutanoic acid which is substituted by a phosphonooxy group at position 4 and a hydroxy group at the 3-pro-R position.
2-Deoxy-D-ribofuranose 5-phosphate
The furanose form of 2-deoxy-D-ribose 5-phosphate.
1-Deoxy-D-xylulose 5-phosphate
The 5-phospho derivative of 1-deoxy-D-xylulose.
3,4-Dichloroisocoumarin
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors
2-deoxy-D-ribofuranose 1-phosphate
A 2-deoxyribose 1-phosphate with D-ribofuranose as the sugar. An intermediate in the metabolism of pyrimidine.
2-C-methyl-D-erythritol 4-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 2-C-methyl-D-erythritol 4-phosphate; major species at pH 7.3.
2-Deoxy-D-ribose 5-phosphate
The 5-O-phosphono derivative of 2-deoxy-D-ribose.
Acivicin (hydrochloride)
Acivicin hydrochloride (AT-125 hydrochloride), a natural product produced by Streptomyces sviceus, is a γ-glutamyl transpeptidase (GGT) inhibitor. Acivicin hydrochloride can across the blood-brain barrier and has anti-cancer, anti-parasitic properties[1][2].
n-{4-oxo-5h-[1,2]dithiolo[3,4-b]pyrrol-3-yl}ethanimidic acid
1-bromo-2,2,3,3-tetramethyl-1-prop-1-ynylcyclopropane
{"Ingredient_id": "HBIN002422","Ingredient_name": "1-bromo-2,2,3,3-tetramethyl-1-prop-1-ynylcyclopropane","Alias": "Cyclopropane, 1-bromo-2,2,3,3-tetramethyl-1-prop-1-ynyl-; 1-Bromo-2,2,3,3-tetramethyl-1-(1-propynyl)cyclopropane; 1-bromo-2,2,3,3-tetramethyl-1-prop-1-ynyl-cyclopropane","Ingredient_formula": "C10H15Br","Ingredient_Smile": "CC#CC1(C(C1(C)C)(C)C)Br","Ingredient_weight": "215.13 g/mol","OB_score": "8.74081644","CAS_id": "NA","SymMap_id": "SMIT05945","TCMID_id": "NA","TCMSP_id": "MOL003946","TCM_ID_id": "NA","PubChem_id": "570815","DrugBank_id": "NA"}
