Exact Mass: 162.0113

Exact Mass Matches: 162.0113

Found 98 metabolites which its exact mass value is equals to given mass value 162.0113, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Allicin

Diallyldisulfid-S-oxid, 3-prop-2-enylsulfinylsulfanylprop-1-ene

C6H10OS2 (162.0173)


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].

   

4-Hydroxy-2-oxoglutaric acid

(+/-)-2-hydroxy-4-oxopentanedioic acid

C5H6O6 (162.0164)


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.

   

Ethoxyflurane

2-Chloro-1,1,2-trifluoroethyl ethyl ether

C4H6ClF3O (162.0059)


   

D-4-Hydroxy-2-oxoglutarate

(2R)-2-hydroxy-4-oxopentanedioic acid

C5H6O6 (162.0164)


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

L-4-hydroxy-2-oxoglutaric acid

C5H6O6 (162.0164)


An optically active form of 4-hydroxy-2-oxoglutaric acid having L-configuration.

   

S-1-Propenyl 2-propenesulfinothioate

(1E)-1-[(Prop-2-ene-1-sulphinyl)sulphanyl]prop-1-ene

C6H10OS2 (162.0173)


S-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. S-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species.

   

Zwiebelane B

alpha-D-Galacto-beta-D-mannan, (1-4),(1-6)-, acetate

C6H10OS2 (162.0173)


Zwiebelane A is found in onion-family vegetables. Zwiebelane A is a constituent of onion (Allium cepa).

   

S-2-Propenyl 1-propenesulfinothioate

3-{[(1E)-prop-1-ene-1-sulphinyl]sulphanyl}prop-1-ene

C6H10OS2 (162.0173)


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

3-{[(1Z)-prop-1-ene-1-sulphinyl]sulphanyl}prop-1-ene

C6H10OS2 (162.0173)


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

(1Z)-1-[(Prop-2-ene-1-sulphinyl)sulphanyl]prop-1-ene

C6H10OS2 (162.0173)


R-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. R-1-Propenyl 2-propenesulfinothioate is a constituent of Allium species.

   

N-Nitrosothiazolidine-4-carboxylic acid

3-nitroso-1,3-thiazolidine-4-carboxylic acid

C4H6N2O3S (162.0099)


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

1-[(prop-1-ene-1-sulfinyl)sulfanyl]prop-1-ene

C6H10OS2 (162.0173)


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 .

   

acetoxymalonic acid

acetoxymalonic acid

C5H6O6 (162.0164)


   

(()-2-Hydroxy-4-oxopentanedioic acid|(R)-2-Hydroxy-4-oxopentanedioic acid

(()-2-Hydroxy-4-oxopentanedioic acid|(R)-2-Hydroxy-4-oxopentanedioic acid

C5H6O6 (162.0164)


   

(E)-5-(2-Thienyl)-2-penten-4-ynal

(E)-5-(2-Thienyl)-2-penten-4-ynal

C9H6OS (162.0139)


   

Lepiochlorin

Lepiochlorin

C6H7ClO3 (162.0084)


   

ACMC-20mptc

ACMC-20mptc

C6H10OS2 (162.0173)


   

Allicin (not validated)

Allicin (not validated)

C6H10OS2 (162.0173)


Annotation level-3

   

S-2-Propenyl 1-propenesulfinothioate

3-{[(1E)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene

C6H10OS2 (162.0173)


   

S-1-Propenyl 2-propenesulfinothioate

(1E)-1-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene

C6H10OS2 (162.0173)


   

5-Bromoprotocatechuic acid

3-{[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene

C6H10OS2 (162.0173)


   

R-1-Propenyl 2-propenesulfinothioate

(1Z)-1-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene

C6H10OS2 (162.0173)


   

N-Nitrosothioproline

3-nitroso-1,3-thiazolidine-4-carboxylic acid

C4H6N2O3S (162.0099)


   

Zwiebelane B

2,3-dimethyl-5$l^{4},6-dithiabicyclo[2.1.1]hexan-5-one

C6H10OS2 (162.0173)


   

trilithium hexafluoroaluminate

trilithium hexafluoroaluminate

AlF6Li3 (162.02)


   

Sodium 3-fluorobenzoate

Sodium 3-fluorobenzoate

C7H4FNaO2 (162.0093)


   

4,6-DIFLUORO-2-(METHYLTHIO)PYRIMIDINE

4,6-DIFLUORO-2-(METHYLTHIO)PYRIMIDINE

C5H4F2N2S (162.0063)


   

2-Butanone,3,3,4,4,4-pentafluoro-

2-Butanone,3,3,4,4,4-pentafluoro-

C4H3F5O (162.0104)


   

(BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCINTRIFLUOROACETATESALT

(BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCINTRIFLUOROACETATESALT

C7H5ClF2 (162.0048)


   

Sodium 4-fluorobenzoate

Sodium 4-fluorobenzoate

C7H4FNaO2 (162.0093)


   

phenyltrifluorosilane

phenyltrifluorosilane

C6H5F3Si (162.0113)


   

Sodium 2-fluorobenzoate

Sodium 2-fluorobenzoate

C7H4FNaO2 (162.0093)


   

thiophene-3-carboximidamide,hydrochloride

thiophene-3-carboximidamide,hydrochloride

C5H7ClN2S (162.0018)


   

2,3-Difluorobenzyl chloride

2,3-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

Sodium 5-oxo-4,5-dihydro-2-pyrazinecarboxylate

Sodium 5-oxo-4,5-dihydro-2-pyrazinecarboxylate

C5H3N2NaO3 (162.0041)


   

(Z)-1-Bromo-3-hexene

(Z)-1-Bromo-3-hexene

C6H11Br (162.0044)


   

(3H-Imidazol-4-yl)-acetic acid HCl

(3H-Imidazol-4-yl)-acetic acid HCl

C5H7ClN2O2 (162.0196)


2-(1H-Imidazol-5-yl)acetic acid hydrochloride is an endogenous metabolite.

   

5-Bromo-2-methyl-2-pentene

5-Bromo-2-methyl-2-pentene

C6H11Br (162.0044)


   

2,5-Difluorobenzyl chloride

2,5-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

5-bromohex-1-ene

5-bromohex-1-ene

C6H11Br (162.0044)


   

3,4-Difluorobenzyl chloride

3,4-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

1-Chloro-2,5-difluoro-4-methylbenzene

1-Chloro-2,5-difluoro-4-methylbenzene

C7H5ClF2 (162.0048)


   

2-amidinothiophene hydrochloride

2-amidinothiophene hydrochloride

C5H7ClN2S (162.0018)


   

2-CHLOROACETYL BUTYROLACTONE

2-CHLOROACETYL BUTYROLACTONE

C6H7ClO3 (162.0084)


   

1-(Chloromethyl)-3,5-difluorobenzene

1-(Chloromethyl)-3,5-difluorobenzene

C7H5ClF2 (162.0048)


   

1[(5-chlorothiophen-2-yl)methyl]hydrazine

1[(5-chlorothiophen-2-yl)methyl]hydrazine

C5H7ClN2S (162.0018)


   

1H-Imidazole-1-acetic acid hydrochloride

1H-Imidazole-1-acetic acid hydrochloride

C5H7ClN2O2 (162.0196)


   

4-Methylpyrimidine-2-thiol hydrochloride (1:1)

4-Methylpyrimidine-2-thiol hydrochloride (1:1)

C5H7ClN2S (162.0018)


   

2,4-Imidazolidinedione,3-chloro-5,5-dimethyl-

2,4-Imidazolidinedione,3-chloro-5,5-dimethyl-

C5H7ClN2O2 (162.0196)


   

Benzo[b]thiophene-5-carboxaldehyde

Benzo[b]thiophene-5-carboxaldehyde

C9H6OS (162.0139)


   

3-(chloroMethyl)-5-(MethoxyMethyl)-1,2,4-oxadiazole

3-(chloroMethyl)-5-(MethoxyMethyl)-1,2,4-oxadiazole

C5H7ClN2O2 (162.0196)


   

Benzo[b]thiophene-2-carboxaldehyde

Benzo[b]thiophene-2-carboxaldehyde

C9H6OS (162.0139)


   

(Bromomethyl)cyclopentane

(Bromomethyl)cyclopentane

C6H11Br (162.0044)


   

2,4-Imidazolidinedione,3-(2-chloroethyl)-

2,4-Imidazolidinedione,3-(2-chloroethyl)-

C5H7ClN2O2 (162.0196)


   

3-Bromo-1,1-dimethylcyclobutane

3-Bromo-1,1-dimethylcyclobutane

C6H11Br (162.0044)


   

1,1,2-Ethanetricarboxylicacid

1,1,2-Ethanetricarboxylicacid

C5H6O6 (162.0164)


   

Benzo[b]thiophene-4-carboxaldehyde

Benzo[b]thiophene-4-carboxaldehyde

C9H6OS (162.0139)


   

2,4-Difluorobenzyl chloride

2,4-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

5-Chloro-3-isopropyl-1,2,4-thiadiazole

5-Chloro-3-isopropyl-1,2,4-thiadiazole

C5H7ClN2S (162.0018)


   

Benzo[b]thiophene-6-carbaldehyde

Benzo[b]thiophene-6-carbaldehyde

C9H6OS (162.0139)


   

Methyl 1H-imidazole-5-carboxylate hydrochloride

Methyl 1H-imidazole-5-carboxylate hydrochloride

C5H7ClN2O2 (162.0196)


   

1-bromo-5-hexene

1-bromo-5-hexene

C6H11Br (162.0044)


   

3-Chlorocarbonylacrylic acid ethyl ester

3-Chlorocarbonylacrylic acid ethyl ester

C6H7ClO3 (162.0084)


   

1-Benzothiophene-3-carbaldehyde

1-Benzothiophene-3-carbaldehyde

C9H6OS (162.0139)


   

CHEMBRDG-BB 4017866

CHEMBRDG-BB 4017866

C5H7ClN2O2 (162.0196)


   

5-CHLORO-1,1,1-TRIFLUORO-3-OXAPENTANE 97

5-CHLORO-1,1,1-TRIFLUORO-3-OXAPENTANE 97

C4H6ClF3O (162.0059)


   

5,6-DIOXO-1,4,5,6-TETRAHYDROPYRAZINE-2,3-DICARBONITRILE

5,6-DIOXO-1,4,5,6-TETRAHYDROPYRAZINE-2,3-DICARBONITRILE

C6H2N4O2 (162.0178)


   

HYDROXYALUMINIUM DI(ACETATE)

HYDROXYALUMINIUM DI(ACETATE)

C4H7AlO5 (162.0109)


   

Cyclopropanecarboxylic acid, 2-(chlorocarbonyl)-, methyl ester, (1R,2S)-rel- (9CI)

Cyclopropanecarboxylic acid, 2-(chlorocarbonyl)-, methyl ester, (1R,2S)-rel- (9CI)

C6H7ClO3 (162.0084)


   

METHYL 1H-PYRAZOLE-4-CARBOXYLATE HYDROCHLORIDE

METHYL 1H-PYRAZOLE-4-CARBOXYLATE HYDROCHLORIDE

C5H7ClN2O2 (162.0196)


   

2,6-Difluorobenzyl chloride

2,6-Difluorobenzyl chloride

C7H5ClF2 (162.0048)


   

1H-1,2,4-Triazole-3-sulfonamide,5-methyl-(9CI)

1H-1,2,4-Triazole-3-sulfonamide,5-methyl-(9CI)

C3H6N4O2S (162.0211)


   

1-Chloro-4,5-difluoro-2-methylbenzene

1-Chloro-4,5-difluoro-2-methylbenzene

C7H5ClF2 (162.0048)


   

5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine

5-(Methylsulfonyl)-4H-1,2,4-triazol-3-amine

C3H6N4O2S (162.0211)


   

1H-Imidazole-5-sulfonic acid,2-methyl-

1H-Imidazole-5-sulfonic acid,2-methyl-

C4H6N2O3S (162.0099)


   

Bromocyclohexane

Bromocyclohexane

C6H11Br (162.0044)


   

2-methylimidazole-4-sulfonic acid

2-methylimidazole-4-sulfonic acid

C4H6N2O3S (162.0099)


   

5-Methylimidazole-4-sulfonic acid

5-Methylimidazole-4-sulfonic acid

C4H6N2O3S (162.0099)


   

3-(Prop-2-ene-1-sulfinyl)-propene-1-thiol

3-(Prop-2-ene-1-sulfinyl)-propene-1-thiol

C6H10OS2 (162.0173)


   

S-1-Propenyl 2-propenesulfinothioate

(1E)-1-[(Prop-2-ene-1-sulphinyl)sulphanyl]prop-1-ene

C6H10OS2 (162.0173)


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

(1Z)-1-[(Prop-2-ene-1-sulphinyl)sulphanyl]prop-1-ene

C6H10OS2 (162.0173)


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.

   

thiosulfinate

thiosulfinate

C6H10OS2 (162.0173)


   

4-Hydroxy-2-oxoglutaric acid

4-Hydroxy-2-oxoglutaric acid

C5H6O6 (162.0164)


An oxo dicarboxylic acid comprising glutaric acid having oxo- and hydroxy substituents at the 2- and 4-positions respectively.

   

D-4-Hydroxy-2-oxoglutarate

D-4-Hydroxy-2-oxoglutarate

C5H6O6 (162.0164)


   

N-Nitrosothiazolidine-4-carboxylic acid

N-Nitrosothiazolidine-4-carboxylic acid

C4H6N2O3S (162.0099)


   

D-4-Hydroxy-2-oxoglutaric acid

D-4-Hydroxy-2-oxoglutaric acid

C5H6O6 (162.0164)


A 4-hydroxy-2-oxoglutaric acid having D-configuration.

   

Hydroxyoxoglutaric acid

Hydroxyoxoglutaric acid

C5H6O6 (162.0164)


   

5-(thiophen-2-yl)pent-2-en-4-ynal

5-(thiophen-2-yl)pent-2-en-4-ynal

C9H6OS (162.0139)


   

(1r,2s,3r,4s,5s)-2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

(1r,2s,3r,4s,5s)-2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

C6H10OS2 (162.0173)


   

1-allyl propenyl thiosulfinate

NA

C6H10OS2 (162.0173)


{"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"}

   

(1e)-1-{[(1e)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene

(1e)-1-{[(1e)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene

C6H10OS2 (162.0173)


   

(4z)-hexa-1,4-dien-3-yl-λ⁴-disulfanylol

(4z)-hexa-1,4-dien-3-yl-λ⁴-disulfanylol

C6H10OS2 (162.0173)


   

(4e)-hexa-1,4-dien-3-yl-λ⁴-disulfanylol

(4e)-hexa-1,4-dien-3-yl-λ⁴-disulfanylol

C6H10OS2 (162.0173)


   

3-{[(s)-prop-2-ene-1-sulfinyl]sulfanyl}prop-1-ene

3-{[(s)-prop-2-ene-1-sulfinyl]sulfanyl}prop-1-ene

C6H10OS2 (162.0173)


   

(1r,2r,3r,4s,5s)-2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

(1r,2r,3r,4s,5s)-2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

C6H10OS2 (162.0173)


   

(1e)-1-[(prop-2-en-1-yloxy)-λ⁴-disulfanyl]prop-1-ene

(1e)-1-[(prop-2-en-1-yloxy)-λ⁴-disulfanyl]prop-1-ene

C6H10OS2 (162.0173)


   

2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexan-5-ium-5-olate

C6H10OS2 (162.0173)


   

(2e)-5-(thiophen-2-yl)pent-2-en-4-ynal

(2e)-5-(thiophen-2-yl)pent-2-en-4-ynal

C9H6OS (162.0139)