Exact Mass: 145.9786
Exact Mass Matches: 145.9786
Found 260 metabolites which its exact mass value is equals to given mass value 145.9786,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Di-2-propenyl disulfide, 9CI
Di-2-propenyl disulfide, also known as allyl disulfide or 3,3-disulfanediylbis(prop-1-ene), belongs to the class of organic compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS. Di-2-propenyl disulfide is possibly neutral. An organic disulfide where the organic group specified is allyl. Di-2-propenyl disulfide has been detected, but not quantified, in soft-necked garlics. This could make di-2-propenyl disulfide a potential biomarker for the consumption of these foods. 1,2-(2-propenyl)-disulfane, also known as allyl disulfide or 3,3-disulfanediylbis(prop-1-ene), is a member of the class of compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS. 1,2-(2-propenyl)-disulfane can be found in soft-necked garlic, which makes 1,2-(2-propenyl)-disulfane a potential biomarker for the consumption of this food product. Diallyl disulfide is an organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium. It has a role as an antineoplastic agent, an antifungal agent and a plant metabolite. Diallyl disulfide is a natural product found in Allium vineale, Allium chinense, and other organisms with data available. An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium. D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D000970 - Antineoplastic Agents Diallyl disulfide inhibits human squalene monooxygenase with an IC50 of 400 μM for squalene epoxidation[1]. Diallyl disulfide inhibits human squalene monooxygenase with an IC50 of 400 μM for squalene epoxidation[1].
Oxoglutaric acid
Oxoglutaric acid, also known as alpha-ketoglutarate, alpha-ketoglutaric acid, AKG, or 2-oxoglutaric acid, is classified as a gamma-keto acid or a gamma-keto acid derivative. gamma-Keto acids are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. alpha-Ketoglutarate is considered to be soluble (in water) and acidic. alpha-Ketoglutarate is a key molecule in the TCA cycle, playing a fundamental role in determining the overall rate of this important metabolic process (PMID: 26759695). In the TCA cycle, AKG is decarboxylated to succinyl-CoA and carbon dioxide by AKG dehydrogenase, which functions as a key control point of the TCA cycle. Additionally, AKG can be generated from isocitrate by oxidative decarboxylation catalyzed by the enzyme known as isocitrate dehydrogenase (IDH). In addition to these routes of production, AKG can be produced from glutamate by oxidative deamination via glutamate dehydrogenase, and as a product of pyridoxal phosphate-dependent transamination reactions (mediated by branched-chain amino acid transaminases) in which glutamate is a common amino donor. AKG is a nitrogen scavenger and a source of glutamate and glutamine that stimulates protein synthesis and inhibits protein degradation in muscles. In particular, AKG can decrease protein catabolism and increase protein synthesis to enhance bone tissue formation in skeletal muscles (PMID: 26759695). Interestingly, enteric feeding of AKG supplements can significantly increase circulating plasma levels of hormones such as insulin, growth hormone, and insulin-like growth factor-1 (PMID: 26759695). It has recently been shown that AKG can extend the lifespan of adult C. elegans by inhibiting ATP synthase and TOR (PMID: 24828042). In combination with molecular oxygen, alpha-ketoglutarate is required for the hydroxylation of proline to hydroxyproline in the production of type I collagen. A recent study has shown that alpha-ketoglutarate promotes TH1 differentiation along with the depletion of glutamine thereby favouring Treg (regulatory T-cell) differentiation (PMID: 26420908). alpha-Ketoglutarate has been found to be associated with fumarase deficiency, 2-ketoglutarate dehydrogenase complex deficiency, and D-2-hydroxyglutaric aciduria, which are all inborn errors of metabolism (PMID: 8338207). Oxoglutaric acid has been found to be a metabolite produced by Corynebacterium and yeast (PMID: 27872963) (YMDB). [Spectral] 2-Oxoglutarate (exact mass = 146.02152) and S-Adenosyl-L-homocysteine (exact mass = 384.12159) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] 2-Oxoglutarate (exact mass = 146.02152) and (S)-Malate (exact mass = 134.02152) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Flavouring ingredient
P-Dichlorobenzene
1,4-Dichlorobenzene (p-DCB, para-dichlorobenzene) is an organic compound with the formula C6H4Cl2. This colorless solid has a strong odor. In terms of its structure, the molecule consists of two chlorine atoms substituted for hydrogen at opposing sites on a benzene ring. p-DCB is used a pesticide and a deodorant, most familiarly in mothballs in which it is a replacement for the more traditional naphthalene. p-DCB is also used as a precursor in the production of the polymer poly(p-phenylene sulfide). D010575 - Pesticides > D007306 - Insecticides D009676 - Noxae > D002273 - Carcinogens D016573 - Agrochemicals
(Z)-2-CHLORO-2-BUTENE
An imidothiocarbamic ester that is (2Z)-prop-2-enoic acid with a carbamimidoylsulfanyl group at position 3.
1,2-Dichlorobenzene
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
m-Dichlorobenzene
m-Dichlorobenzene belongs to the family of Chlorobenzenes. These are compounds containing a chlorine atom attached to a benzene moiety
(E,E)-Di-1-propenyl disulfide
(Z,Z)-Di-1-propenyl disulfide is found in onion-family vegetables. (Z,Z)-Di-1-propenyl disulfide is a constituent of Allium species. Constituent of the essential oil of Allium subspecies (E,E)-Di-1-propenyl disulfide is found in onion-family vegetables.
(E)-1-Propenyl 2-propenyl disulfide
(e)-1-propenyl 2-propenyl disulfide is a member of the class of compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS (e)-1-propenyl 2-propenyl disulfide can be found in soft-necked garlic, which makes (e)-1-propenyl 2-propenyl disulfide a potential biomarker for the consumption of this food product. (Z)-1-Propenyl 2-propenyl disulfide is found in onion-family vegetables. (Z)-1-Propenyl 2-propenyl disulfide is a constituent of garlic (Allium sativum).
3-Oxoglutaric acid
3-oxoglutaric acid or acetonedicarboxylic acid is a simple carboxylic acid, which may be used as a building block in organic chemistry. It has been found to be a microbial metabolite.
4-Mercapto-5-methyl-3(2H)-thiophenone
4-Mercapto-5-methyl-3(2H)-thiophenone is a constituent of a synthetic roast meat-like odour produced from reaction of 4-Hydroxy-5-methyl-3(2H)-furanone
(E)-2-Propenyl-1-propenyl disulfide
(e)-2-propenyl-1-propenyl disulfide is a member of the class of compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS (e)-2-propenyl-1-propenyl disulfide can be found in soft-necked garlic, which makes (e)-2-propenyl-1-propenyl disulfide a potential biomarker for the consumption of this food product.
Methoxymalic acid
Methoxymalic acid, also known as methoxymalate, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Methoxymalic acid is soluble (in water) and an extremely strong acidic compound (based on its pKa). Methoxymalic acid can be found in oat, which makes methoxymalic acid a potential biomarker for the consumption of this food product.
2,3-Dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide
2,3-dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide is a member of the class of compounds known as thiolanes. Thiolanes are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. 2,3-dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide can be found in garden onion, which makes 2,3-dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide a potential biomarker for the consumption of this food product.
sulfur hexafluoride
V - Various > V08 - Contrast media > V08D - Ultrasound contrast media > V08DA - Ultrasound contrast media D020011 - Protective Agents > D002327 - Cariostatic Agents > D005459 - Fluorides
(1S,4S)-2-PHENYL-2,5-DIAZABICYCLO[2.2.1]HEPTANEMALEINATE
1,2,4-Oxadiazole-3-carbonyl chloride, 5-methyl- (9CI)
1H-1,2,4-Triazole-3-carbonyl chloride, 5-amino- (9CI)
1,2,5-Oxadiazole-3-carbonyl chloride, 4-methyl- (9CI)
1H-Imidazole-1-carbonyl chloride, 2,3-dihydro-2-oxo- (9CI)
Dihydroxyaluminum sodium carbonate
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02A - Antacids > A02AB - Aluminium compounds
Allyl prop-1-enyl disulfide
(e)-1-propenyl 2-propenyl disulfide is a member of the class of compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS (e)-1-propenyl 2-propenyl disulfide can be found in soft-necked garlic, which makes (e)-1-propenyl 2-propenyl disulfide a potential biomarker for the consumption of this food product.
(4S)-2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
AI3-35128
D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D000970 - Antineoplastic Agents Diallyl disulfide inhibits human squalene monooxygenase with an IC50 of 400 μM for squalene epoxidation[1]. Diallyl disulfide inhibits human squalene monooxygenase with an IC50 of 400 μM for squalene epoxidation[1].
(E)-2-Propenyl-1-propenyl disulfide
(e)-2-propenyl-1-propenyl disulfide is a member of the class of compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS (e)-2-propenyl-1-propenyl disulfide can be found in soft-necked garlic, which makes (e)-2-propenyl-1-propenyl disulfide a potential biomarker for the consumption of this food product. Constituent of garlic (Allium sativum). (E)-1-Propenyl 2-propenyl disulfide is found in garlic and onion-family vegetables.
Diallyl disulfide
Di-2-propenyl disulfide, 9CI or simply allyl disulfide is a principal constituent of garlic (Allium sativum). It is found in in onion (Allium cepa), ramsons (Allium ursinum), chive (Allium schoenoprasum) and Chinese chives (Allium tuberosum). It is also found in raw cabbage and seeds of herb-Sophia (Descurainia sophia). It can be used as a flavouring ingredient. Allyl disulfide is a potential nutriceutical. 1,2-(2-propenyl)-disulfane, also known as allyl disulfide or 3,3-disulfanediylbis(prop-1-ene), is a member of the class of compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS. 1,2-(2-propenyl)-disulfane can be found in soft-necked garlic, which makes 1,2-(2-propenyl)-disulfane a potential biomarker for the consumption of this food product. Diallyl disulfide inhibits human squalene monooxygenase with an IC50 of 400 μM for squalene epoxidation[1]. Diallyl disulfide inhibits human squalene monooxygenase with an IC50 of 400 μM for squalene epoxidation[1].
Garlicin
Isolated from garlic (Allium sativa). Garlicin is found in onion-family vegetables. Diallyl disulfide inhibits human squalene monooxygenase with an IC50 of 400 μM for squalene epoxidation[1]. Diallyl disulfide inhibits human squalene monooxygenase with an IC50 of 400 μM for squalene epoxidation[1].
2-Amino-4,5-dihydro-1,3-thiazol-3-ium-4-carboxylate
(4R)-2-amino-4,5-dihydro-1,3-thiazol-3-ium-4-carboxylate
(4S)-2-amino-4,5-dihydro-1,3-thiazol-3-ium-4-carboxylate
1,4-DICHLOROBENZENE
D010575 - Pesticides > D007306 - Insecticides D009676 - Noxae > D002273 - Carcinogens D016573 - Agrochemicals
2-Oxoglutaric acid
An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle.
Dehydro-D-arabinono-1,4-lactone
A gamma-lactone that is 5-(hydroxymethyl)furan-2(5H)-one substituted at positions 3 and 4 by hydroxy groups (the 5R-stereoisomer).
dichlorobenzene
A dichlorobenzene carrying chloro substituents at positions 1 and 2. D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
citramalate(2-)
A dicarboxylic acid dianion that is obtained by removal of a proton from both of the carboxylic acid groups of citramalic acid.
L-citramalate(2-)
A citramalate(2-) that is the conjugate acid of L-citramalic acid.
2-hydroxyglutarate(2-)
A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 2-hydroxyglutaric acid.
2-Amino-delta(2)-thiazoline-4-carboxylic acid
A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole which is substituted at positions 2 and 4 by an amino and a carboxy group, respectively.
3-hydroxyglutarate(2-)
A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 3-hydroxyglutaric acid; major species at pH 7.3.
D-2-amino-Delta(2)-thiazoline-4-carboxylic acid
A 2-amino-Delta(2)-thiazoline-4-carboxylic acid that has S configuration.
D-2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion
A 2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion that has S-configuration. The major species at pH 7.3.
(S)-2-hydroxyglutarate(2-)
A 2-hydroxyglutarate(2-) that has (2S)-configuration.
L-2-amino-Delta(2)-thiazoline-4-carboxylic acid
A 2-amino-Delta(2)-thiazoline-4-carboxylic acid that has R configuration.
2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion
An amino acid zwitterion obtained from 2-amino-Delta(2)-thiazoline-4-carboxylic acid by the transfer of a proton from the carboxy group to the thiazoline nitrogen. The major species at pH 7.3.
L-2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion
A 2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion that has R-configuration. The major species at pH 7.3.
D-citramalate(2-)
A citramalate(2-) that is the conjugate base of D-citramalic acid.
3-methylmalate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-methylmalic acid; major microspecies at pH 7.3
(R)-2-hydroxyglutarate(2-)
A 2-hydroxyglutarate(2-) that has (2R)-configuration.
