Exact Mass: 141.0556522
Exact Mass Matches: 141.0556522
Found 500 metabolites which its exact mass value is equals to given mass value 141.0556522,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Arecaidine
Arecaidine is a citraconoyl group. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2]. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2]. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2].
L-Histidinol
L-Histidinol, a structural analogue of the essential amino acid L-histidine, enhances the toxicity of a variety of anticancer drugs for many tumour cells of animal origin (PMID:8297120). L-Histidinol inhibits human myristoyl-CoA:protein-myristoyltransferase (hNMT), an essential eukaryotic enzyme that catalyzes the cotranslational transfer of myristate into the NH2-terminal glycine residue of a number of important proteins of diverse function (PMID:9778369). L-Histidinol, a structural analogue of the essential amino acid L-histidine, enhances the toxicity of a variety of anticancer drugs for many tumor cells of animal origin. (PMID 8297120)
Phosphoethanolamine
O-Phosphoethanolamine, also known as PEA, phosphorylethanolamine, colamine phosphoric acid or ethanolamine O-phosphate, belongs to the class of organic compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. O-Phosphoethanolamine is used in the biosynthesis of two different types of phospholipids: glycerophospholipids and sphingolipids. O-Phosphoethanolamine exists in all living species, ranging from bacteria to plants to humans. Within humans, O-phosphoethanolamine participates in a number of enzymatic reactions. In particular, cytidine triphosphate and O-phosphoethanolamine can be converted into CDP-ethanolamine; which is mediated by the enzyme ethanolamine-phosphate cytidylyltransferase. In addition, O-phosphoethanolamine can be biosynthesized from ethanolamine; which is catalyzed by the enzyme choline/ethanolamine kinase. In humans, O-phosphoethanolamine is involved in phosphatidylcholine biosynthesis. O-phosphoethanolamine is also a product of the metabolism of sphingolipids. In particular, sphinglipids are metabolized in vivo to phosphorylethanolamine and a fatty aldehyde, generally palmitaldehyde. Both metabolites are ultimately converted to glycerophospholipids. The lipids are first phosphorylated by a kinase and then cleaved by the pyridoxal-dependent sphinganine-1-phosphate aldolase. Elevated urine levels of O-Phosphoethanolamine or PEA can be used to help in the diagnosis of Hypophosphatasia (HPP). Reference ranges for urinary PEA vary according to age and somewhat by diet, and follow a circadian rhythm. Outside of the human body, O-phosphoethanolamine has been detected, but not quantified in, several different foods, such as oxheart cabbages, anises, shiitakes, abalones, and teffs. Phosphoryl-ethanolamine, also known as colamine phosphoric acid or ethanolamine phosphate, is a member of the class of compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. Phosphoryl-ethanolamine is soluble (in water) and a moderately acidic compound (based on its pKa). Phosphoryl-ethanolamine can be found in a number of food items such as pepper (capsicum), black salsify, cascade huckleberry, and redcurrant, which makes phosphoryl-ethanolamine a potential biomarker for the consumption of these food products. Phosphoryl-ethanolamine can be found primarily in most biofluids, including cerebrospinal fluid (CSF), blood, saliva, and feces. Phosphoryl-ethanolamine exists in all living species, ranging from bacteria to humans. In humans, phosphoryl-ethanolamine is involved in several metabolic pathways, some of which include phosphatidylethanolamine biosynthesis PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)), phosphatidylethanolamine biosynthesis PE(14:0/20:1(11Z)), phosphatidylethanolamine biosynthesis PE(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)), and phosphatidylethanolamine biosynthesis PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)). Phosphoryl-ethanolamine is also involved in few metabolic disorders, which include fabry disease, gaucher disease, and krabbe disease. Moreover, phosphoryl-ethanolamine is found to be associated with traumatic brain injury. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID E009 Phosphorylethanolamine is an endogenous metabolite. Phosphorylethanolamine is an endogenous metabolite.
L-Hypoglycin A
Isolated from the unripe fruit of akee apple (Blighia sapida). L-Hypoglycin A is found in many foods, some of which are fox grape, biscuit, mamey sapote, and chinese chives. L-Hypoglycin A is found in fruits. L-Hypoglycin A is isolated from the unripe fruit of akee apple (Blighia sapida D009676 - Noxae > D011042 - Poisons > D007005 - Hypoglycins
Guvacoline
The methyl ester of guvacine.
4-Chloro-2-methylaniline
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
2-Aminomuconic acid semialdehyde
2-aminomuconic semialdehyde is an intermediate in the oxidative metabolism of tryptophan in mammals, and takes place via the kynurenine pathway, which is also used for NAD biosynthesis in all eukaryotic organisms. 2-Aminomuconic semialdehyde is reported to be unstable and spontaneously converted to picolinic acid (regarded as metabolically inert and is excreted in the urine as a glycine conjugate), and enzymatically converted to 2-aminomuconic acid through the action of 2-aminomuconic semialdehyde dehydrogenase. (PMID: 10510494, 16267312, 14275129) [HMDB] 2-aminomuconic semialdehyde is an intermediate in the oxidative metabolism of tryptophan in mammals, and takes place via the kynurenine pathway, which is also used for NAD biosynthesis in all eukaryotic organisms. 2-Aminomuconic semialdehyde is reported to be unstable and spontaneously converted to picolinic acid (regarded as metabolically inert and is excreted in the urine as a glycine conjugate), and enzymatically converted to 2-aminomuconic acid through the action of 2-aminomuconic semialdehyde dehydrogenase. (PMID: 10510494, 16267312, 14275129).
Ethosuximide
Ethosuximide is only found in individuals that have used or taken this drug. It is an anticonvulsant especially useful in the treatment of absence seizures unaccompanied by other types of seizures. [PubChem]Binds to T-type voltage sensitive calcium channels. Voltage-sensitive calcium channels (VSCC) mediate the entry of calcium ions into excitable cells and are also involved in a variety of calcium-dependent processes, including muscle contraction, hormone or neurotransmitter release, gene expression, cell motility, cell division and cell death. The isoform alpha-1G gives rise to T-type calcium currents. T-type calcium channels belong to the "low-voltage activated (LVA)" group and are strongly blocked by mibefradil. A particularity of this type of channels is an opening at quite negative potentials and a voltage-dependent inactivation. T-type channels serve pacemaking functions in both central neurons and cardiac nodal cells and support calcium signaling in secretory cells and vascular smooth muscle. They may also be involved in the modulation of firing patterns of neurons which is important for information processing as well as in cell growth processes. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Arecaidine
Arecaidine is found in nuts. Arecaidine is an alkaloid from nuts of Areca catechu (betel nuts Arecaidine is a citraconoyl group. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2]. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2]. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2].
2-(2-Methylpropyl)thiazole
Tomato volatile and flavouring ingredient. Liq. with tomato leaf odour. 2-(2-Methylpropyl)thiazole is found in garden tomato. 2-(2-Methylpropyl)thiazole is found in garden tomato. Tomato volatile and flavouring ingredient. Liq. with tomato leaf odou
2-(1-Methylpropyl)thiazole
xi-2-(1-Methylpropyl)thiazole is a flavour enhancer for tomato products. It is used as a food additive
4-Methyl-2-(1-methylethyl)thiazole
4-Methyl-2-(1-methylethyl)thiazole, also known as fema 3555 or 2-isopropyl-4-methyl-thiazole, belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. 2,4-disubstituted thiazoles are compounds containing a thiazole ring substituted at the positions 2 and 3. A 1,3-thiazole that is substituted at positions 2 and 4 by isopropyl and methyl groups, respectively. 4-Methyl-2-(1-methylethyl)thiazole is an earthy, fruit, and green tasting compound. 4-Methyl-2-(1-methylethyl)thiazole has been detected, but not quantified, in several different foods, such as cocoa and cocoa products, fruits, garden tomato, herbs and spices, and mushrooms. This could make 4-methyl-2-(1-methylethyl)thiazole a potential biomarker for the consumption of these foods. A fruit flavour intensifier, it has a peach flavour with distinct vegetable and tropical notes. Present in Indonesian durian fruit (Durio zibethinus), red tomatoes, yeast extract, coriander seed oil, and roast meats. Also used in apricot, nectarine, durian, mango, pear and blackcurrant flavours. 4-Methyl-2-(1-methylethyl)thiazole is a fruit flavour intensifier. It is found in indonesian durian fruit (Durio zibethinus), cocoa butter/roasted beans, red tomatoes, yeast extract, coriander seed oil and roast meats. Off-flavour component in fortified juice-containing beverages. It is also found in mushrooms.
2-Propanoylthiazole
2-Propanoylthiazole is found in fats and oils. Cysteine-derived Maillard product. 2-Propanoylthiazole is reported in lard. 2-Propanoylthiazole is present in cooked spinach leaves. 2-Propanoylthiazole is a flavouring ingredient. 2-Propanoylthiazole is a cysteine-derived Maillard product. It is found in cooked spinach leaves, and fats and oils. It can be used as a flavouring ingredient.
6-Isothiocyanato-1-hexene
6-Isothiocyanato-1-hexene is found in brassicas. 6-Isothiocyanato-1-hexene is isolated from a hydrolysate of Japanese horseradish (Wasabia japonica) and from radish (Raphanus sativus). Isolated from a hydrolysate of Japanese horseradish (Wasabia japonica) and from radish (Raphanus sativus). 6-Isothiocyanato-1-hexene is found in brassicas and root vegetables.
2-Ethyl-4,5-dimethylthiazole
2-Ethyl-4,5-dimethylthiazole is found in coffee and coffee products. 2-Ethyl-4,5-dimethylthiazole is a component of coffee aroma. Component of coffee aroma. 2-Ethyl-4,5-dimethylthiazole is found in coffee and coffee products.
4-Ethyl-2,5-dimethylthiazole
Flavour component of coffee, baked potato, fried bacon, cooked pork and yeast extract. 4-Ethyl-2,5-dimethylthiazole is found in many foods, some of which are potato, mushrooms, animal foods, and tea. 4-Ethyl-2,5-dimethylthiazole is found in animal foods. 4-Ethyl-2,5-dimethylthiazole is a flavour component of coffee, baked potato, fried bacon, cooked pork and yeast extract.
5-Ethyl-2,4-dimethylthiazole
Volatile flavour ingredient of coffee, roasted peanuts, roasted lamb fat, fried chicken, cooked pork, roast beef and yeast extract; flavouring ingredient. 5-Ethyl-2,4-dimethylthiazole is found in many foods, some of which are mushrooms, nuts, animal foods, and coffee and coffee products. 5-Ethyl-2,4-dimethylthiazole is found in animal foods. 5-Ethyl-2,4-dimethylthiazole is a volatile flavour ingredient of coffee, roasted peanuts, roasted lamb fat, fried chicken, cooked pork, roast beef and yeast extract; flavouring ingredient.
2,5-Diethylthiazole
2,5-Diethylthiazole is found in coffee and coffee products. 2,5-Diethylthiazole is a component of coffee aroma. Component of coffee aroma. 2,5-Diethylthiazole is found in coffee and coffee products.
2-Methyl-4-(1-methylethyl)thiazole
2-Methyl-4-(1-methylethyl)thiazole is found in mushrooms. Aroma component of yeast extract. Aroma component of yeast extract. 2-Methyl-4-(1-methylethyl)thiazole is found in mushrooms.
2,4-Diethylthiazole
2,4-Diethylthiazole is found in coffee and coffee products. 2,4-Diethylthiazole is a volatile flavour component of coffee aroma and yeast extract. Volatile flavour component of coffee aroma and yeast extract. 2,4-Diethylthiazole is found in mushrooms and coffee and coffee products.
Isothiocyanatocyclohexane
Isothiocyanatocyclohexane belongs to the family of Isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S
2-Acetyl-4-methylthiazole
2-acetyl-4-methylthiazole is a member of the class of compounds known as aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 2-acetyl-4-methylthiazole is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-acetyl-4-methylthiazole can be found in kohlrabi, which makes 2-acetyl-4-methylthiazole a potential biomarker for the consumption of this food product.
dimetridazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3975; ORIGINAL_PRECURSOR_SCAN_NO 3974; CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3975; ORIGINAL_PRECURSOR_SCAN_NO 3974 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3993; ORIGINAL_PRECURSOR_SCAN_NO 3992 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4003; ORIGINAL_PRECURSOR_SCAN_NO 4002 ORIGINAL_ACQUISITION_NO 4003; CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4002 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3997; ORIGINAL_PRECURSOR_SCAN_NO 3996 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4028; ORIGINAL_PRECURSOR_SCAN_NO 4026 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4002; ORIGINAL_PRECURSOR_SCAN_NO 3998
2-Amino-4-methyl-5-hexynoic acid|2-Amino-4-methyl-hex-5-yn-carbonsaeure
Histidinol
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.044 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.042 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.041 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.040
L-Histidinol
An amino alcohol that is propanol substituted by 1H-imidazol-4-yl group at position 3 and an amino group at position 2 (the 2S stereoisomer).
DCA_142.0419_14.6
CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 402
Pymetrozine-TP CGA371075
CONFIDENCE standard compound; UCHEM_ID 4169
ethosuximide
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
1H-Pyrrole-1-carboxylicacid,2,3-dihydro-5-methyl-,methylester(9CI)
1H-1,2,4-Triazole-5-carboxylicacid,1-methyl-,hydrazide(9CI)
1H-Imidazole-4-carboxylicacid, 5-amino-, methyl ester
1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-2-(hydroxymethyl)-1-methyl- (9CI)
1H-Imidazole-2-carboxylicacid,4-amino-1-methyl-(9CI)
Racemic-(1S,3R,4R)-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid
N-HYDROXY-2-(1H-1,2,4-TRIAZOL-1-YL)ETHANIMIDAMIDE HYDROCHLORIDE
1H-Imidazole-4-carboxamide,5-hydroxy-1-methyl-(9CI)
1H-Imidazole-4-carboxamide,5-hydroxy-N-methyl-(9CI)
1H-1,2,4-Triazole-3-carboxylicacid,5-methyl-,methylester(9CI)
1H-1,2,3-Triazole-1-carboxylicacid,ethylester(9CI)
1,2,4-Oxadiazol-3-amine,5-(1,1-dimethylethyl)-(9CI)
1H-Imidazole-4-carboxamide,5-hydroxy-2-methyl-(9CI)
1R,4S,6R)-4-(hydroxymethyl)-3-azabicyclo[4.1.0]heptan-2-one
Pyrimidine, 4-amino-2-(fluoromethyl)-6-methyl- (8CI)
1H-Imidazole-5-carboxamide,4-hydroxy-1-methyl-(9CI)
1-(trimethylsilyl)-1H-1,2,3-triazole
C5H11N3Si (141.07222059999998)
1H-Pyrazole-3-carboxamide,5-(hydroxymethyl)- (9CI)
1H-Pyrazole-5-carboxylicacid,3-amino-1-methyl-(9CI)
4-(3-ISOPROPYL-[1,2,4]OXADIAZOL-5-YL)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-Dimethylaminoethanethiol Hydrochloride
C78284 - Agent Affecting Integumentary System
(1R,2S)-1-Amino-2-vinyl-cyclopropanecarb oxylic acid methyl ester
1H-1,2,3-Triazole-4-carboxylicacid,5-methyl-,methylester(9CI)
1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI)
(5Z)-3-phenyl-5-(thiophen-3-ylmethylidene)thiazolidine-2,4-dione
2(1H)-Pyrimidinone, 4-amino-6-(hydroxymethyl)- (9CI)
1H-Pyrazole-4-carboxylicacid,1-amino-,methylester(9CI)
1H-Imidazole-4-carboxylicacid,5-amino-,hydrazide(9CI)
1,3,4-Oxadiazol-2-amine,5-(1,1-dimethylethyl)-(9CI)
1H-Imidazole-4-carboxamide,N-hydroxy-N-methyl-(9CI)
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
2-amino-3-(2-methylidenecyclopropyl)propanoic acid
(2E)-oct-2-enoate
A monounsaturated fatty acid anion that is the conjugate base of (2E)-oct-2-enoic acid. Major species at pH 7.3.
4-Chloro-2-methylaniline
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
Hypoglycin a
A diastereoisomeric mixture of (2S,4R)- and (2S,4S)- hypoglycin A, found in the edible part of the fruit of the Ackee, Blighia sapida (where the 2S,4R diastereoisomer is more dominant (17\\% d.e.) than its 2S,4S counterpart) as well as in the sycamore maple tree (Acer pseudoplatanus). D009676 - Noxae > D011042 - Poisons > D007005 - Hypoglycins
5-(hydroxymethyl)cytosine
A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a hydroxymethyl group.
2-aminomuconic 6-semialdehyde
A muconic semialdehyde having a 2-amino substituent.
(2S,4S)-hypoglycin A
A 2-amino-3-(2-methylenecyclopropyl)propanoic acid that has L configuration at the amino-bearing carbon and S configuration at the methylenecylopropyl centre.
2-aminomuconic 6-semialdehyde zwitterion
An amino acid zwitterion resulting from the transfer of a proton from the carboxy to the amino group of 2-aminomuconic 6-semialdehyde; major species at pH 7.3.
2-amino-4-methyl-5-hexynoic acid
{"Ingredient_id": "HBIN005314","Ingredient_name": "2-amino-4-methyl-5-hexynoic acid","Alias": "NA","Ingredient_formula": "C7H11NO2","Ingredient_Smile": "CC(CC(C(=O)O)N)C#C","Ingredient_weight": "141.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8701","PubChem_id": "90986","DrugBank_id": "NA"}
