Exact Mass: 89.9777
Exact Mass Matches: 89.9777
Found 69 metabolites which its exact mass value is equals to given mass value 89.9777,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxalate (ethanedioate)
Oxalic acid is a strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent (Pubchem). Oxalic acid (IUPAC name: ethanedioic acid, formula H2C2O4) is a dicarboxylic acid with structure (HOOC)-(COOH). Because of the joining of two carboxyl groups, this is one of the strongest organic acids. It is also a reducing agent. The anions of oxalic acid as well as its salts and esters are known as oxalates (Wikipedia). Bodily oxalic acid may also be synthesized via the metabolism of either glyoxylic acid or unused ascorbic acid (vitamin C), which is a serious health consideration for long term megadosers of vitamin C supplements. 80\\\\% of kidney stones are formed from calcium oxalate. Some Aspergillus species produce oxalic acid, which reacts with blood or tissue calcium to precipitate calcium oxalate. There is some preliminary evidence that the administration of probiotics can affect oxalic acid excretion rates (and presumably oxalic acid levels as well) (Wikipedia). Oxalic acid is found to be associated with fumarase deficiency and primary hyperoxaluria I, which are inborn errors of metabolism. Oxalic acid is a marker for yeast overgrowth from Aspergillus, Penicillum and/or Candida. Can also be elevated due to exposures from vitamin C or ethylene glycol poisoning. Oxalate is elevated in the urine of children with autism. (PMID: 21911305). Oxalic acid has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Oxalic acid, also known as oxalate or ethanedioic acid, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Oxalic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Oxalic acid can be found in a number of food items such as grape, sacred lotus, orange mint, and date, which makes oxalic acid a potential biomarker for the consumption of these food products. Oxalic acid can be found primarily in blood, saliva, sweat, and urine, as well as throughout most human tissues. Oxalic acid exists in all living organisms, ranging from bacteria to humans. Moreover, oxalic acid is found to be associated with fumarase deficiency, glycolic aciduria, hemodialysis, and primary hyperoxaluria I. Oxalic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Oxalic acids acid strength is much greater than that of acetic acid. Oxalic acid is a reducing agent and its conjugate base, known as oxalate (C 2O2− 4), is a chelating agent for metal cations. Typically, oxalic acid occurs as the dihydrate with the formula C2H2O4·2H2O . Acute Exposure: If oxalic acid is swallowed, immediately give the person water or milk, unless instructed otherwise by a health care provider. DO NOT give water or milk if the person is having symptoms (such as vomiting, convulsions, or a decreased level of alertness) that make it hard to swallow. If acute exposure occurs to the eyes, irrigate opened eyes for several minutes under running water. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019163 - Reducing Agents Oxalic Acid is a strong dicarboxylic acid occurring in many plants and vegetables and can be used as an analytical reagent and general reducing agent. Oxalic Acid is a strong dicarboxylic acid occurring in many plants and vegetables and can be used as an analytical reagent and general reducing agent.
trans-3-Chloroallyl aldehyde
This compound belongs to the family of Enolates. These are salts of enols (or of the tautomeric aldehydes or ketones), in which the anionic charge is delocalized over oxygen and carbon, or similar covalent metal derivatives in which the metal is bound to oxygen.
Thial-1-Propene-1-thiol S-oxide
Lachrymatory factor of onion (Allium cepa). Thial-1-Propene-1-thiol S-oxide is found in garden onion and onion-family vegetables. Thial-1-Propene-1-thiol S-oxide is found in garden onion. Lachrymatory factor of onion (Allium cepa).
cis-3-Chloroallyl aldehyde
This compound belongs to the family of Enolates. These are salts of enols (or of the tautomeric aldehydes or ketones), in which the anionic charge is delocalized over oxygen and carbon, or similar covalent metal derivatives in which the metal is bound to oxygen.
Sodium chlorite
Bleaching agent for starch; slimicide in the manuf. of paper and paperboard that contact food. It is used in processing waters for fruit, vegetables and red meats Sodium chlorite is a chemical compound used in the manufacture of paper. Bleaching agent for starch; slimicide in the manuf. of paper and paperboard that contact food. It is used in processing waters for fruit, vegetables and red meats D - Dermatologicals > D03 - Preparations for treatment of wounds and ulcers > D03A - Cicatrizants
(E)-1-Propene-1-sulfenic acid
(E)-1-Propene-1-sulfenic acid is found in onion-family vegetables. (E)-1-Propene-1-sulfenic acid is present in onion (Allium cepa Present in onion (Allium cepa). (E)-1-Propene-1-sulfenic acid is found in garden onion and onion-family vegetables.
S-Methyl thioacetate
S-Methyl thioacetate is found in alcoholic beverages. S-Methyl thioacetate is found in melon, strawberry, passion fruit, onion, cheese, cooked meats, beer, whiskies, wines and coffee. S-Methyl thioacetate is a flavouring agent Found in melon, strawberry, passion fruit, onion, cheese, cooked meats, beer, whiskies, wines and coffee. Flavouring agent
1-Mercapto-2-propanone
1-Mercapto-2-propanone is found in animal foods. 1-Mercapto-2-propanone is present in pork volatiles. 1-Mercapto-2-propanone is used in roast pork flavour Present in pork volatiles. It is used in roast pork flavours. 1-Mercapto-2-propanone is found in animal foods.
(Methylthio)acetaldehyde
(Methylthio)acetaldehyde is a flavouring ingredien Flavouring ingredient
allylsulfenate
Allylsulfenate, also known as allylsulfenic acid or 2-propenesulfenic acid, 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. Allylsulfenate is soluble (in water) and a very weakly acidic compound (based on its pKa). Allylsulfenate can be found in a number of food items such as wax gourd, acorn, pineappple sage, and calabash, which makes allylsulfenate a potential biomarker for the consumption of these food products.
oxalic acid
An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019163 - Reducing Agents Oxalic Acid is a strong dicarboxylic acid occurring in many plants and vegetables and can be used as an analytical reagent and general reducing agent. Oxalic Acid is a strong dicarboxylic acid occurring in many plants and vegetables and can be used as an analytical reagent and general reducing agent.
N-Methylthiourea
A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a methyl group.
Carbamimidothioic acid, methyl ester
D004791 - Enzyme Inhibitors
(Aminooxy)acetate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors
Sodium chlorite
D - Dermatologicals > D03 - Preparations for treatment of wounds and ulcers > D03A - Cicatrizants
S-allylsulfenic acid
An S-alkylsulfenic acid in which the alkyl group is specified as allyl.
(Z)-propanethial S-oxide
A propanethial S-oxide in which the double bond adopts a Z-configuration.
(E)-propanethial S-oxide
A propanethial S-oxide in which the double bond adopts an E-configuration.
Propanethial S-oxide
A thiocarbonyl compound that is propanethial in which the sulfur atom carries an oxo group. It is a lachrymatory factor found in onions.
1-oxide thietane
{"Ingredient_id": "HBIN002939","Ingredient_name": "1-oxide thietane","Alias": "NA","Ingredient_formula": "C3H6OS","Ingredient_Smile": "C1CS(=O)C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34670","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
