Exact Mass: 161.98005419999998
Exact Mass Matches: 161.98005419999998
Found 264 metabolites which its exact mass value is equals to given mass value 161.98005419999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Allicin
Allicin is found in garden onion. Allicin is isolated from garlic (Allium sativum). Nutriceutical Allicin is an organic compound obtained from garlic. It is also obtainable from onions, and other species in the family Alliaceae. It was first isolated and studied in the laboratory by Chester J. Cavallito in 1944. This colourless liquid has a distinctively pungent smell. This compound exhibits antibacterial and anti-fungal properties. Allicin is garlics defence mechanism against attacks by pests Allicin is a sulfoxide and a botanical anti-fungal agent. It has a role as an antibacterial agent. Allicin has been used in trials studying the treatment of Follicular Lymphoma. Allicin is a natural product found in Allium chinense, Allium nutans, and other organisms with data available. See also: Garlic (part of). D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants Isolated from garlic (Allium sativum). Nutriceutical D009676 - Noxae > D000963 - Antimetabolites D000890 - Anti-Infective Agents D007004 - Hypoglycemic Agents Allicin (diallyl thiosulfinate) is isolated from garlic including Diallyl monosulfide, Diallyl disulfide, Diallyl trisulfide, Diallyl tetrasulfide, and Methyl allyl disulphide etc. They accounts for 98\\% of the extract. Allicin (diallyl thiosulfinate) has highly potent antimicrobial activity, and inhibits growth of a variety of microorganisms, among them antibiotic-resistant strains[1][2]. Allicin (diallyl thiosulfinate) is isolated from garlic including Diallyl monosulfide, Diallyl disulfide, Diallyl trisulfide, Diallyl tetrasulfide, and Methyl allyl disulphide etc. They accounts for 98\% of the extract. Allicin (diallyl thiosulfinate) has highly potent antimicrobial activity, and inhibits growth of a variety of microorganisms, among them antibiotic-resistant strains[1][2].
2,4-Dichlorophenol
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13281; ORIGINAL_PRECURSOR_SCAN_NO 13277 CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13308; ORIGINAL_PRECURSOR_SCAN_NO 13303 CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13388; ORIGINAL_PRECURSOR_SCAN_NO 13386 CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13208; ORIGINAL_PRECURSOR_SCAN_NO 13205 CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13179; ORIGINAL_PRECURSOR_SCAN_NO 13176 CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4788; ORIGINAL_PRECURSOR_SCAN_NO 4787 CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4687; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4701; ORIGINAL_PRECURSOR_SCAN_NO 4700 CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4705; ORIGINAL_PRECURSOR_SCAN_NO 4704 CONFIDENCE standard compound; INTERNAL_ID 797; 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 4713 CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4673; ORIGINAL_PRECURSOR_SCAN_NO 4672 2,4-Dichlorophenol is a chlorinated organic chemical due to environmental exposure, that can be detected in breast milk. The free species of phenols and chlorinated organic appear to be most prevalent in milk. (PMID 16377264 ) [HMDB] 2,4-Dichlorophenol is a chlorinated organic chemical due to environmental exposure, that can be detected in breast milk. The free species of phenols and chlorinated organic appear to be most prevalent in milk. (PMID 16377264 ). D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8642
4-Hydroxy-2-oxoglutaric acid
4-Hydroxy-2-ketoglutaric acid is a substrate for Fructose-bisphosphate aldolase A. [HMDB] 4-Hydroxy-2-ketoglutaric acid is a substrate for Fructose-bisphosphate aldolase A.
2,5-Dichlorophenol
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13208; ORIGINAL_PRECURSOR_SCAN_NO 13205 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13243; ORIGINAL_PRECURSOR_SCAN_NO 13239 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13287; ORIGINAL_PRECURSOR_SCAN_NO 13282 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13308; ORIGINAL_PRECURSOR_SCAN_NO 13303 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13281; ORIGINAL_PRECURSOR_SCAN_NO 13277 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4965; ORIGINAL_PRECURSOR_SCAN_NO 4964 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4975; ORIGINAL_PRECURSOR_SCAN_NO 4974 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4984; ORIGINAL_PRECURSOR_SCAN_NO 4981 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4995; ORIGINAL_PRECURSOR_SCAN_NO 4994 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5002; ORIGINAL_PRECURSOR_SCAN_NO 5001 CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5041; ORIGINAL_PRECURSOR_SCAN_NO 5040 2,5-dichlorophenol belongs to the family of Phenols and Derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.
Dazomet
CONFIDENCE standard compound; INTERNAL_ID 905; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5164; ORIGINAL_PRECURSOR_SCAN_NO 5160 CONFIDENCE standard compound; INTERNAL_ID 905; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5138; ORIGINAL_PRECURSOR_SCAN_NO 5134
D-4-Hydroxy-2-oxoglutarate
This compound belongs to the family of Gamma Keto-Acids and Derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom
L-4-hydroxy-2-oxoglutaric acid
An optically active form of 4-hydroxy-2-oxoglutaric acid having L-configuration.
para-Trifluoromethylphenol
para-Trifluoromethylphenol is only found in individuals that have used or taken Fluoxetine. para-Trifluoromethylphenol is a metabolite of Fluoxetine. Para-trifluoromethylphenol belongs to the family of Phenols and Derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.
S-1-Propenyl 2-propenesulfinothioate
S-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. S-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species.
Zwiebelane B
Zwiebelane A is found in onion-family vegetables. Zwiebelane A is a constituent of onion (Allium cepa).
S-2-Propenyl 1-propenesulfinothioate
S-2-Propenyl 1-propenesulfinothioate is found in onion-family vegetables. S-2-Propenyl 1-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-2-Propenyl 1-propenesulfinothioate is found in soft-necked garlic and onion-family vegetables.
R-2-Propenyl 1-propenesulfinothioate
R-2-Propenyl 1-propenesulfinothioate is found in onion-family vegetables. R-2-Propenyl 1-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies R-2-Propenyl 1-propenesulfinothioate is found in onion-family vegetables.
R-1-Propenyl 2-propenesulfinothioate
R-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. R-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species.
1-Piperazinecarbodithioic acid
Once widely used as an anthelmintic for treatment of roundworm infection in pigs and poultry. Once widely used as an anthelmintic for treatment of roundworm infection in pigs and poultry
N-Nitrosothiazolidine-4-carboxylic acid
C4H6N2O3S (162.00991259999998)
N-Nitrosothiazolidine-4-carboxylic acid is found in animal foods. Non-mutagenic contaminant of smoked cured meats. N-Nitrosothiazolidine-4-carboxylic acid is a marker for in vivo N-nitrosations. Non-mutagenic contaminant of smoked cured meats. A marker for in vivo N-nitrosations. N-Nitrosothiazolidine-4-carboxylic acid is found in animal foods.
thiosulfinate
Thiosulfinate, also known as thiosulfinic acid, is a member of the class of compounds known as thiosulfinic acid esters. Thiosulfinic acid esters are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR (R, R=alkyl, aryl). Thiosulfinate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Thiosulfinate can be found in a number of food items such as salmonberry, nuts, summer grape, and red bell pepper, which makes thiosulfinate a potential biomarker for the consumption of these food products. In organosulfur chemistry, thiosulfinate is a functional group consisting of the linkage R-S(O)-S-R (R are organic substituents). Thiolsulfinates are also named as alkanethiosulfinic (or arenethiosulfinic) acid esters. They are the first member of a family of compounds containing an oxidized disulfide bond. Other members of this family include thiosulfonates (R-SO2-S-R), α-disulfoxides (R-S(O)-S(O)-R), sulfinyl sulfones (R-S(O)-SO2-R), and α-disulfones (R-SO2-SO2-R), all of which are known. The thiosulfinate group can occur in cyclic as well as acyclic structures .
2-Thioxothiazolidine-4-carboxylic acid
2-thioxothiazolidine-4-carboxylic acid is a member of the class of compounds known as thiolane-2-thiones. Thiolane-2-thiones are organic heterocyclic compounds containing a thiolane ring that carries a thione group at the 2-position. Thiolane is a five-membered saturated aliphatic ring made up of one sulfur atom and four carbon atoms. 2-thioxothiazolidine-4-carboxylic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-thioxothiazolidine-4-carboxylic acid can be found in radish, which makes 2-thioxothiazolidine-4-carboxylic acid a potential biomarker for the consumption of this food product.
(()-2-Hydroxy-4-oxopentanedioic acid|(R)-2-Hydroxy-4-oxopentanedioic acid
4-Trifluoromethylphenol
A member of the class of (trifluoromethyl)benzenes that is p-cresol in which the methyl group is perfluorinated. It is a metabolite of the drug fluoxetine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 673 CONFIDENCE standard compound; INTERNAL_ID 2009
2,4-DICHLOROPHENOL
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
Fluxapyroxad (BAS 700 F)-TP CSCD465008
CONFIDENCE standard compound; UCHEM_ID 4183
Soduxin
Disodium succinate is the?disodium?salt of?Succinic acid. Succinic acid is an intermediate product of the tricarboxylic acid cycle, as well as one of fermentation products of anaerobic metabolism[1]. Disodium succinate is the?disodium?salt of?Succinic acid. Succinic acid is an intermediate product of the tricarboxylic acid cycle, as well as one of fermentation products of anaerobic metabolism[1].
(BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCINTRIFLUOROACETATESALT
2-Amino-4-chlorothiazole-5-carbaldehyde
C4H3ClN2OS (161.96546179999999)
(3H-Imidazol-4-yl)-acetic acid HCl
2-(1H-Imidazol-5-yl)acetic acid hydrochloride is an endogenous metabolite.
4-Amino-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride
3-(chloroMethyl)-5-(MethoxyMethyl)-1,2,4-oxadiazole
2-chloro-1,3-thiazole-4-carboxamide
C4H3ClN2OS (161.96546179999999)
5-CHLORO-1,1,1-TRIFLUORO-3-OXAPENTANE 97
C4H6ClF3O (162.00592519999998)
5,6-DIOXO-1,4,5,6-TETRAHYDROPYRAZINE-2,3-DICARBONITRILE
Cyclopropanecarboxylic acid, 2-(chlorocarbonyl)-, methyl ester, (1R,2S)-rel- (9CI)
2,5-Dimercapto-1,3,4-thiadiazole dilithium salt
C2N2S3.2Li (161.95437400000003)
1H-Imidazole-5-sulfonic acid,2-methyl-
C4H6N2O3S (162.00991259999998)
4-methylthiadiazole-5-carbonyl chloride
C4H3ClN2OS (161.96546179999999)
S-1-Propenyl 2-propenesulfinothioate
S-1-propenyl 2-propenesulfinothioate is a member of the class of compounds known as thiosulfinic acid esters. Thiosulfinic acid esters are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR (R, R=alkyl, aryl). S-1-propenyl 2-propenesulfinothioate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). S-1-propenyl 2-propenesulfinothioate can be found in onion-family vegetables, which makes S-1-propenyl 2-propenesulfinothioate a potential biomarker for the consumption of this food product. S-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. S-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species.
R-1-Propenyl 2-propenesulfinothioate
R-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. R-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables.
Disodium succinate
Flavour enhancer Disodium succinate is the?disodium?salt of?Succinic acid. Succinic acid is an intermediate product of the tricarboxylic acid cycle, as well as one of fermentation products of anaerobic metabolism[1]. Disodium succinate is the?disodium?salt of?Succinic acid. Succinic acid is an intermediate product of the tricarboxylic acid cycle, as well as one of fermentation products of anaerobic metabolism[1].
2,5-dichlorophenol
A dichlorophenol with the chloro substituents at positions 2 and 5.
4-Hydroxy-2-oxoglutaric acid
An oxo dicarboxylic acid comprising glutaric acid having oxo- and hydroxy substituents at the 2- and 4-positions respectively.
Sodium succinate
Disodium succinate is the?disodium?salt of?Succinic acid. Succinic acid is an intermediate product of the tricarboxylic acid cycle, as well as one of fermentation products of anaerobic metabolism[1]. Disodium succinate is the?disodium?salt of?Succinic acid. Succinic acid is an intermediate product of the tricarboxylic acid cycle, as well as one of fermentation products of anaerobic metabolism[1].
N-Nitrosothiazolidine-4-carboxylic acid
C4H6N2O3S (162.00991259999998)
N-acetyl-L-cysteinate
A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
D-4-Hydroxy-2-oxoglutaric acid
A 4-hydroxy-2-oxoglutaric acid having D-configuration.
(1r,2s,3r,4s,5s)-2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate
1-allyl propenyl thiosulfinate
{"Ingredient_id": "HBIN002264","Ingredient_name": "1-allyl propenyl thiosulfinate","Alias": "NA","Ingredient_formula": "C6H10OS2","Ingredient_Smile": "C=CCSS(=O)CC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34844","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,4-dichloro-6-aminopyridine
{"Ingredient_id": "HBIN004309","Ingredient_name": "2,4-dichloro-6-aminopyridine","Alias": "NA","Ingredient_formula": "C5H4Cl2N2","Ingredient_Smile": "C1=C(C=C(N=C1N)Cl)Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-vinyl-1,2,3-trithio-5-cyclohexene
{"Ingredient_id": "HBIN010931","Ingredient_name": "4-vinyl-1,2,3-trithio-5-cyclohexene","Alias": "NA","Ingredient_formula": "C5H6S3","Ingredient_Smile": "C=CC1=CCSSS1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32207","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
