Exact Mass: 162.0173

Exact Mass Matches: 162.0173

Found 38 metabolites which its exact mass value is equals to given mass value 162.0173, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 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.

   

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)


   

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)


   

Zwiebelane B

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

C6H10OS2 (162.0173)


   

1,1,2-Ethanetricarboxylicacid

1,1,2-Ethanetricarboxylicacid

C5H6O6 (162.0164)


   

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)


   

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)


   

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)


   

(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)