Exact Mass: 162.0164

Exact Mass Matches: 162.0164

Found 91 metabolites which its exact mass value is equals to given mass value 162.0164, 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.

   

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 .

   

3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid

3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid

C5H4F2N2O2 (162.0241)


   

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)


   

4-Phenyl-1,2,3-thiadiazole

4-Phenyl-1,2,3-thiadiazole

C8H6N2S (162.0252)


   

ACMC-20mptc

ACMC-20mptc

C6H10OS2 (162.0173)


   

Allicin (not validated)

Allicin (not validated)

C6H10OS2 (162.0173)


Annotation level-3

   

Fluxapyroxad (BAS 700 F)-TP CSCD465008

3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid

C5H4F2N2O2 (162.0241)


CONFIDENCE standard compound; UCHEM_ID 4183

   

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)


   

2-quinoxalinethiol

2-quinoxalinethiol

C8H6N2S (162.0252)


   

trilithium hexafluoroaluminate

trilithium hexafluoroaluminate

AlF6Li3 (162.02)


   

Sodium 3-fluorobenzoate

Sodium 3-fluorobenzoate

C7H4FNaO2 (162.0093)


   

2-(difluoromethyl)pyrazole-3-carboxylic acid

2-(difluoromethyl)pyrazole-3-carboxylic acid

C5H4F2N2O2 (162.0241)


   

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

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

C4H3F5O (162.0104)


   

Sodium 4-fluorobenzoate

Sodium 4-fluorobenzoate

C7H4FNaO2 (162.0093)


   

phenyltrifluorosilane

phenyltrifluorosilane

C6H5F3Si (162.0113)


   

Sodium 2-fluorobenzoate

Sodium 2-fluorobenzoate

C7H4FNaO2 (162.0093)


   

3,4-dimethylthiophene-2,5-dicarbonitrile

3,4-dimethylthiophene-2,5-dicarbonitrile

C8H6N2S (162.0252)


   

2-Mercapto-4,6-Dimethylpyrimidine Sodium Salt

2-Mercapto-4,6-Dimethylpyrimidine Sodium Salt

C6H7N2NaS (162.0228)


   

(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.

   

Pentafluoropropylamidine

Pentafluoropropylamidine

C3H3F5N2 (162.0216)


   

2-THIOPHEN-2-YL-PYRAZINE

2-THIOPHEN-2-YL-PYRAZINE

C8H6N2S (162.0252)


   

2-chlornaphthalen

2-Chloronaphthalene

C10H7Cl (162.0236)


   

2-CHLOROACETYL BUTYROLACTONE

2-CHLOROACETYL BUTYROLACTONE

C6H7ClO3 (162.0084)


   

1-Chloronaphthalene

1-Chloronaphthalene

C10H7Cl (162.0236)


   

1H-Imidazole-1-acetic acid hydrochloride

1H-Imidazole-1-acetic acid hydrochloride

C5H7ClN2O2 (162.0196)


   

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

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

C5H7ClN2O2 (162.0196)


   

2-(2-THIAZOLYL)-PYRIDINE

2-(2-THIAZOLYL)-PYRIDINE

C8H6N2S (162.0252)


   

Benzo[b]thiophene-5-carboxaldehyde

Benzo[b]thiophene-5-carboxaldehyde

C9H6OS (162.0139)


   

1(2H)-Phthalazinethione

1(2H)-Phthalazinethione

C8H6N2S (162.0252)


   

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)


   

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

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

C5H7ClN2O2 (162.0196)


   

1,1,2-Ethanetricarboxylicacid

1,1,2-Ethanetricarboxylicacid

C5H6O6 (162.0164)


   

Benzo[b]thiophene-4-carboxaldehyde

Benzo[b]thiophene-4-carboxaldehyde

C9H6OS (162.0139)


   

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)


   

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)


   

5,6-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)


   

6-fluorobenzo[c]isoxazole-3-carbonitrile

6-fluorobenzo[c]isoxazole-3-carbonitrile

C8H3FN2O (162.0229)


   

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)


   

1-cyano-N-phenylmethanethioamide

1-cyano-N-phenylmethanethioamide

C8H6N2S (162.0252)


   

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

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

C3H6N4O2S (162.0211)


   

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

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

C3H6N4O2S (162.0211)


   

3-THIAZOL-2-YL-PYRIDINE

3-THIAZOL-2-YL-PYRIDINE

C8H6N2S (162.0252)


   

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

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

C4H6N2O3S (162.0099)


   

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)


   

(2R)-2-acetamido-3-sulfanylpropanoate

(2R)-2-acetamido-3-sulfanylpropanoate

C5H8NO3S- (162.0225)


   

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)


   

N-acetyl-L-cysteinate

N-acetyl-L-cysteinate

C5H8NO3S (162.0225)


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

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)