Exact Mass: 136.0021
Exact Mass Matches: 136.0021
Found 311 metabolites which its exact mass value is equals to given mass value 136.0021,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Hypoxanthine
Hypoxanthine, also known as purine-6-ol or Hyp, belongs to the class of organic compounds known as purines. Purines are a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Hypoxanthine is also classified as an oxopurine, Hypoxanthine is a naturally occurring purine derivative and a reaction intermediate in the metabolism of adenosine and in the formation of nucleic acids by the nucleotide salvage pathway. Hypoxanthine exists in all living species, ranging from bacteria to plants to humans. Hypoxanthine has been detected, but not quantified in, several different foods, such as radish (var.), mountain yams, welsh onions, greenthread tea, and common beets. Hypoxanthine is occasionally found as a constituent of nucleic acids, where it is present in the anticodon of tRNA in the form of its nucleoside inosine. Biologically, hypoxanthine can be formed a number of ways. For instance, it is one of the products of the action of xanthine oxidase on xanthine. However, more frequently xanthine is formed from oxidation of hypoxanthine by xanthine oxidoreductase. The enzyme hypoxanthine-guanine phosphoribosyltransferase converts hypoxanthine into IMP in the nucleotide salvage pathway. Hypoxanthine is also a spontaneous deamination product of adenine. Under normal circumstances hypoxanthine is readily converted to uric acid. In this process, hypoxanthine is first oxidized to xanthine, which is further oxidized to uric acid by xanthine oxidase. Molecular oxygen, the oxidant in both reactions, is reduced to H2O2 and other reactive oxygen species. In humans, uric acid is the final product of purine degradation and is excreted in the urine. Within humans, hypoxanthine participates in a number of other enzymatic reactions. In particular, hypoxanthine and ribose 1-phosphate can be biosynthesized from inosine through its interaction with the enzyme purine nucleoside phosphorylase. Hypoxanthine is also involved in the metabolic disorder called the purine nucleoside phosphorylase deficiency. Purine nucleoside phosphorylase (PNP) deficiency is a disorder of the immune system (primary immunodeficiency) characterized by recurrent infections, neurologic symptoms, and autoimmune disorders. PNP deficiency causes a shortage of white blood cells, called T-cells, that help fight infection. Affected individuals develop neurologic symptoms, such as stiff or rigid muscles (spasticity), uncoordinated movements (ataxia), developmental delay, and intellectual disability. PNP deficiency is associated with an increased risk to develop autoimmune disorders, such as autoimmune hemolytic anemia, idiopathic thrombocytopenic purpura (ITP), autoimmune neutropenia, thyroiditis, and lupus. [Spectral] Hypoxanthine (exact mass = 136.03851) and Adenine (exact mass = 135.0545) 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. Occurs widely in plant and animal tissue (CCD). Hypoxanthine is found in many foods, some of which are japanese chestnut, parsnip, okra, and horned melon. Hypoxanthine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=68-94-0 (retrieved 2024-07-02) (CAS RN: 68-94-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia.
Threonic acid
Threonic acid, also known as threonate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Threonic acid is a sugar acid derived from threose. The L-isomer is a metabolite of ascorbic acid (vitamin C). One study suggested that because L-threonate inhibits DKK1 expression in vitro, it may have potential in the treatment of androgenic alopecia (PMID:21034532). Threonic acid is probably derived from glycated proteins or from degradation of ascorbic acid. It is a normal component in aqueous humour and blood (PMID:10420182). Threonic acid is a substrate of L-threonate 3-dehydrogenase (EC 1.1.1.129) in the ascorbate and aldarate metabolism pathway (KEGG). It has been found to be a microbial metabolite (PMID:20615997). L-threonic acid, also known as L-threonate or L-threonic acid magnesium salt, belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. L-threonic acid is soluble (in water) and a weakly acidic compound (based on its pKa). L-threonic acid can be found in a number of food items such as buffalo currant, yam, purslane, and bayberry, which makes L-threonic acid a potential biomarker for the consumption of these food products. L-threonic acid can be found primarily in blood. Threonic acid is a sugar acid derived from threose. The L-isomer is a metabolite of ascorbic acid (vitamin C). One study suggested that because L-threonate inhibits DKK1 expression in vitro, it may have potential in treatment of androgenic alopecia .
allopurinol
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C921 - Uricosuric Agent D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 2389 [Raw Data] CB202_Allopurinol_pos_50eV_rep000003.txt [Raw Data] CB202_Allopurinol_pos_40eV_rep000003.txt [Raw Data] CB202_Allopurinol_pos_30eV_rep000003.txt [Raw Data] CB202_Allopurinol_pos_20eV_rep000003.txt [Raw Data] CB202_Allopurinol_pos_10eV_rep000003.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 3336 Allopurinol is a potent and orally active xanthine oxidase inhibitor with an IC50 value of 0.2-50 μM. Allopurinol can be used in the research of hyperuricemia and gout. Allopurinol decreases the expression of HIF-1α and HIF-2α protein. Allopurinol shows anti-depressant and anti-nociception activity. Anti-leishmanial effect[1][2][3][4][5].
Allopurinol
Allopurinol is only found in individuals that have used or taken this drug. It is a xanthine oxidase inhibitor that decreases uric acid production. It also acts as an antimetabolite on some simpler organisms. [PubChem]Allopurinol and its active metabolite, oxypurinol, inhibits the enzyme xanthine oxidase, blocking the conversion of the oxypurines hypoxanthine and xanthine to uric acid. Elevated concentrations of oxypurine and oxypurine inhibition of xanthine oxidase through negative feedback results in a decrease in the concentrations of uric acid in the serum and urine. Allopurinol also facilitates the incorporation of hypoxanthine and xanthine into DNA and RNA, leading to a feedback inhibition of de novo purin synthesis and a decrease in serum uric acid concentrations as a result of an increase in nucleotide concentration. M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C921 - Uricosuric Agent D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors Allopurinol is a potent and orally active xanthine oxidase inhibitor with an IC50 value of 0.2-50 μM. Allopurinol can be used in the research of hyperuricemia and gout. Allopurinol decreases the expression of HIF-1α and HIF-2α protein. Allopurinol shows anti-depressant and anti-nociception activity. Anti-leishmanial effect[1][2][3][4][5].
Erythronic acid
Erythronic acid is a sugar component of aqueous humour (eye). It may be derived from glycated proteins or from degradation of ascorbic acid. Erythronic acid is a normal organic acid present in a healthy adult and pediatric population. It has been found in urine, plasma, CSF, and synovial fluid (PMID: 14708889, 8087979, 8376520, 10420182). Erythronic acid is formed when N-acetyl-D-glucosamine (GlcNAc) is oxidized. GlcNAc is a constituent of hyaluronic acid (HA), a polysaccharide consisting of alternating units of glucuronic acid and GlcNAc, present as an aqueous solution in synovial fluid. In the synovial fluid of patients suffering from rheumatoid arthritis, HA is thought to be degraded either by radicals generated by Fenton chemistry (Fe2+/H2O2) or by NaOCl generated by myeloperoxidase (PMID: 10614067). Erythronic acid is a sugar component of aqueous humour (eye). It may be derived from glycated proteins or from degradation of ascorbic acid. Erythronic acid is a normal organic acid present in a healthy adult and pediatric population. It has been found in urine, plasma, CSF and synovial fluid. (PMID: 14708889, 8087979, 8376520, 10420182) Erythronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=13752-84-6 (retrieved 2024-07-10) (CAS RN: 13752-84-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
1-Pentanesulfenothioic acid
1-Pentanesulfenothioic acid is found in chives. 1-Pentanesulfenothioic acid is a constituent of chives (Allium schoenoprasum) Constituent of chives (Allium schoenoprasum). 1-Pentanesulfenothioic acid is found in chives and onion-family vegetables.
(Z)-S-1-Propenyl methanesulfinothioate
(Z)-S-1-Propenyl methanesulfinothioate is found in onion-family vegetables. (Z)-S-1-Propenyl methanesulfinothioate is a constituent of onion (Allium cepa), garlic (Allium sativum) and other Allium species. Constituent of onion (Allium cepa), garlic (Allium sativum) and other Allium subspecies (Z)-S-1-Propenyl methanesulfinothioate is found in garden onion, garlic, and onion-family vegetables.
S-Methyl 2-propene-1-sulfinothioate
S-Methyl 2-propene-1-sulfinothioate is found in onion-family vegetables. S-Methyl 2-propene-1-sulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-Methyl 2-propene-1-sulfinothioate is found in onion-family vegetables.
(Z)-S-Methyl 1-propenesulfinothioate
(Z)-S-Methyl 1-propenesulfinothioate is found in onion-family vegetables. (Z)-S-Methyl 1-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies (Z)-S-Methyl 1-propenesulfinothioate is found in onion-family vegetables.
S-2-Propenyl methanesulfinothioate
S-2-Propenyl methanesulfinothioate is found in onion-family vegetables. S-2-Propenyl methanesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-2-Propenyl methanesulfinothioate is found in soft-necked garlic and onion-family vegetables.
Phenyl vinyl sulfide
Phenyl vinyl sulfide is found in animal foods. Phenyl vinyl sulfide is a component of beef arom Component of beef aroma. Phenyl vinyl sulfide is found in animal foods.
Methyl 2-propenyl selenide
Methyl 2-propenyl selenide is found in onion-family vegetables. Methyl 2-propenyl selenide is a constituent of Allium sp
Ethyl propyl disulfide
Constituent of Allium subspecies, Durio zibethinus (durian) and Nigella sativa (black cumin). Ethyl propyl disulfide is found in onion-family vegetables, herbs and spices, and fruits. Ethyl propyl disulfide is found in fruits. Ethyl propyl disulfide is a constituent of Allium species, Durio zibethinus (durian) and Nigella sativa (black cumin).
Ethyl isopropyl disulfide
Ethyl isopropyl disulfide is found in onion-family vegetables. Ethyl isopropyl disulfide is a constituent of Allium cepa (onion) juice. Constituent of Allium cepa (onion) juice. Ethyl isopropyl disulfide is found in garden onion and onion-family vegetables.
Eniluracil
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors Eniluracil (5-Ethynyluracil) is an orally active dihydropyrimidine dehydrogenase (DPD) inhibitor. Eniluracil irreversibly inhibits DPD, increases the oral bioavailability of 5-fluorouracil to 100\%, and facilitates the uniform absorption and toxicity of 5-fluorouracil. Eniluracil can be used in cancer research of combination with fluoropyrimidines (including 5-fluorouracil)[1][2]. Eniluracil is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Methyl-trans-1-propenyl thiosulfinate
Methyl-1-propenyl thiosulfinate 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). Methyl-1-propenyl thiosulfinate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl-1-propenyl thiosulfinate can be found in soft-necked garlic, which makes methyl-1-propenyl thiosulfinate a potential biomarker for the consumption of this food product.
trans-1-Propenyl methyl thiosulfinate
Trans-1-propenyl methyl thiosulfinate 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). Trans-1-propenyl methyl thiosulfinate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-1-propenyl methyl thiosulfinate can be found in soft-necked garlic, which makes trans-1-propenyl methyl thiosulfinate a potential biomarker for the consumption of this food product.
4-aminobenzoate
4-aminobenzoate, also known as para-aminobenzoic acid or paba, is a member of the class of compounds known as aminobenzoic acids. Aminobenzoic acids are benzoic acids containing an amine group attached to the benzene moiety. 4-aminobenzoate is soluble (in water) and a weakly acidic compound (based on its pKa). 4-aminobenzoate can be found in a number of food items such as babassu palm, nectarine, java plum, and black cabbage, which makes 4-aminobenzoate a potential biomarker for the consumption of these food products. Aminobenzoic acid (a benzoic acid with an amino group) can refer to: 4-Aminobenzoic acid (p-aminobenzoic acid or para-aminobenzoic acid) 3-Aminobenzoic acid (m-aminobenzoic acid or meta-aminobenzoic acid) 2-aminobenzoic acid (o-aminobenzoic acid or ortho-aminobenzoic acid, Anthranilic acid) .
hypoxanthine
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor COVID info from COVID-19 Disease Map C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia.
hypoxanthine
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor A purine nucleobase that consists of purine bearing an oxo substituent at position 6. COVID info from COVID-19 Disease Map C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; FDGQSTZJBFJUBT_STSL_0163_Hypoxanthine_0125fmol_180430_S2_LC02_MS02_115; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia. Hypoxanthine, a purine derivative, is a potential free radical generator and could be used as an indicator of hypoxia.
5-Chloropentanoic acid
(R)-2-CARBOXYMETHYL-PIPERIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
sodium acetate trihydrate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
5-Pyrimidinecarbonitrile,2-amino-1,4-dihydro-4-oxo-(8ci,9ci)
N-HYDROXYCYCLOPROPANECARBOXIMIDAMIDE HYDROCHLORIDE
5-PYRIMIDINECARBONITRILE, 6-AMINO-1,2-DIHYDRO-2-OXO-
8-Azaadenine
A triazolopyrimidine that is [1,2,3]triazolo[4,5-d]pyrimidine bearing an amino substituent at position 7.
Anthranilate
An aminobenzoate that is the conjugate base of anthranilic acid, obtained by deprotonation of the carboxy group. D002491 - Central Nervous System Agents > D000927 - Anticonvulsants COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Eniluracil
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors Eniluracil (5-Ethynyluracil) is an orally active dihydropyrimidine dehydrogenase (DPD) inhibitor. Eniluracil irreversibly inhibits DPD, increases the oral bioavailability of 5-fluorouracil to 100\%, and facilitates the uniform absorption and toxicity of 5-fluorouracil. Eniluracil can be used in cancer research of combination with fluoropyrimidines (including 5-fluorouracil)[1][2]. Eniluracil is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
2,2,4-Trihydroxybutanoic acid
A hydroxybutyric acid that is butyric acid substituted by hydroxy groups at positions 2, 2 and 4.
4-Aminobenzoate
An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.
D-erythronic acid
An erythronic acid in which the stereocentres at positions 2 and 3 both have R-configuration (the D-enantiomer).
(1R,2S)-epoxypropylphosphonate(2-)
An organophosphonate oxoanion obtained by deprotonation of the two phosphonate OH groups of (1R,2S)-epoxypropylphosphonic acid.
3-(2-thienyl)propargyl aldehyde
{"Ingredient_id": "HBIN007064","Ingredient_name": "3-(2-thienyl)propargyl aldehyde","Alias": "NA","Ingredient_formula": "C7H4OS","Ingredient_Smile": "C1=CSC(=C1)C#CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21315","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
allyl-methyl thiosulfinates
{"Ingredient_id": "HBIN015258","Ingredient_name": "allyl-methyl thiosulfinates","Alias": "NA","Ingredient_formula": "C4H8OS2","Ingredient_Smile": "CS(=O)SCC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34845","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
