Exact Mass: 155.06947340000002
Exact Mass Matches: 155.06947340000002
Found 500 metabolites which its exact mass value is equals to given mass value 155.06947340000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Retronecine
Retronecine is a member of pyrrolizines. Retronecine is a natural product found in Senecio nebrodensis, Lappula spinocarpos, and other organisms with data available. Retronecine is a pyrrolizidine alkaloid found in a variety of plants in the genera Senecio and Crotalaria, and the family Boraginaceae. It is the most common central core for other pyrrolizidine alkaloids. Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids
L-Histidine
Histidine (His), also known as L-histidine, is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Amino acids are organic compounds that contain amino (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. Histidine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Histidine is found in all organisms ranging from bacteria to plants to animals. It is classified as an aliphatic, positively charged or basic amino acid. Histidine is a unique amino acid with an imidazole functional group. The acid-base properties of the imidazole side chain are relevant to the catalytic mechanism of many enzymes such as proteases. In catalytic triads, the basic nitrogen of histidine abstracts a proton from serine, threonine, or cysteine to activate it as a nucleophile. In a histidine proton shuttle, histidine is used to quickly shuttle protons. It can do this by abstracting a proton with its basic nitrogen to make a positively charged intermediate and then use another molecule to extract the proton from its acidic nitrogen. Histidine forms complexes with many metal ions. The imidazole sidechain of the histidine residue commonly serves as a ligand in metalloproteins. Histidine was first isolated by German physician Albrecht Kossel in 1896. Histidine is an essential amino acid in humans and other mammals. It was initially thought that it was only essential for infants, but longer-term studies established that it is also essential for adults. Infants four to six months old require 33 mg/kg of histidine. It is not clear how adults make small amounts of histidine, and dietary sources probably account for most of the histidine in the body. Histidine is a precursor for histamine and carnosine biosynthesis. Inborn errors of histidine metabolism, including histidinemia, maple syrup urine disease, propionic acidemia, and tyrosinemia I, exist and are marked by increased histidine levels in the blood. Elevated blood histidine is accompanied by a wide range of symptoms, from mental and physical retardation to poor intellectual functioning, emotional instability, tremor, ataxia and psychosis. Histidine and other imidazole compounds have anti-oxidant, anti-inflammatory and anti-secretory properties (PMID: 9605177 ). The efficacy of L-histidine in protecting inflamed tissue is attributed to the capacity of the imidazole ring to scavenge reactive oxygen species (ROS) generated by cells during acute inflammatory response (PMID: 9605177 ). Histidine, when administered in therapeutic quantities is able to inhibit cytokines and growth factors involved in cell and tissue damage (US patent 6150392). Histidine in medical therapies has its most promising trials in rheumatoid arthritis where up to 4.5 g daily have been used effectively in severely affected patients. Arthritis patients have been found to have low serum histidine levels, apparently because of very rapid removal of histidine from their blood (PMID: 1079527 ). Other patients besides arthritis patients that have been found to be low in serum histidine are those with chronic renal failure. Urinary levels of histidine are reduced in pediatric patients with pneumonia (PMID: 2084459 ). Asthma patients exhibit increased serum levels of histidine over normal controls (PMID: 23517038 ). Serum histidine levels are lower and are negatively associated with inflammation and oxidative stress in obese women (PMID: 23361591 ). Histidine supplementation has been shown to reduce insulin resistance, reduce BMI and fat mass and suppress inflammation and oxidative stress in obese women with metabolic syndrome. Histidine appears to suppress pro-inflammatory cytokine expression, possibly via the NF-κB pathway, in adipocytes (PMID: 23361591 ). Low plasma concentrations of histidine are associated with protein-energy... [Spectral] L-Histidine (exact mass = 155.06948) and L-Lysine (exact mass = 146.10553) and L-Arginine (exact mass = 174.11168) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] L-Histidine (exact mass = 155.06948) and L-Arginine (exact mass = 174.11168) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. Flavouring ingredient; dietary supplement, nutrient L-Histidine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=71-00-1 (retrieved 2024-07-01) (CAS RN: 71-00-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport. L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport. L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport.
Arecoline
Arecoline is a tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. It has a role as a muscarinic agonist and a metabolite. It is a tetrahydropyridine, an enoate ester, a pyridine alkaloid and a methyl ester. An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands. Arecoline is a natural product found in Piper betle and Areca catechu with data available. Arecoline is found in nuts. Arecoline is isolated from betel nuts Arecoline is an alkaloid natural product found in the areca nut, the fruit of the areca palm (Areca catechu). It is an oily liquid that is soluble in water, alcohols, and ether. Owing to its muscarinic and nicotinic agonist properties, arecoline has shown improvement in the learning ability of healthy volunteers. Since one of the hallmarks of Alzheimers disease is a cognitive decline, arecoline was suggested as a treatment to slow down this process and arecoline administered via i.v. route did indeed show modest verbal and spatial memory improvement in Alzheimers patients, though due to arecolines possible carcinogenic properties, it is not the first drug of choice for this degenerative disease. Arecoline has been shown to exhibit apoptotic, excitant and steroidogenic functions (A7876, A7878, A7879). Arecoline belongs to the family of Alkaloids and Derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands. Arecoline is found in nuts. Arecoline is isolated from betel nuts Arecoline is an alkaloid natural product found in the areca nut, the fruit of the areca palm (Areca catechu). It is an oily liquid that is soluble in water, alcohols, and ether. Owing to its muscarinic and nicotinic agonist properties, arecoline has shown improvement in the learning ability of healthy volunteers. Since one of the hallmarks of Alzheimers disease is a cognitive decline, arecoline was suggested as a treatment to slow down this process and arecoline administered via i.v. route did indeed show modest verbal and spatial memory improvement in Alzheimers patients, though due to arecolines possible carcinogenic properties, it is not the first drug of choice for this degenerative disease A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
3-(Pyrazol-1-yl)-L-alanine
L-2-Amino-3-(1-pyrazolyl)propanoic acid is found in fruits. L-2-Amino-3-(1-pyrazolyl)propanoic acid is a amino acid present in seeds of Citrullus vulgaris (watermelon Amino acid present in seeds of Citrullus vulgaris (watermelon). L-2-Amino-3-(1-pyrazolyl)propanoic acid is found in fruits.
Scopoline
Scopoline (compound 3a) is a compound easily formed from scopine[1]. Scopoline (compound 3a) is a compound easily formed from scopine[1].
6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
A cyclic ketone consisting of cyclohex-3-en-1-one substituted at position 5 by a carboxy group and position 6 by an amino group.
D-HISTIDINE
An optically active form of histidine having D-configuration. D-Histidine is an enantiomer of?L-histidine (HY-N0832).?L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of?mitochondrial glutamine transport[1].
4-Phenylpyridine
Occurs in tea and peppermint. 4-Phenylpyridine is found in tea, sweet orange, and herbs and spices. 4-Phenylpyridine is found in herbs and spices. 4-Phenylpyridine occurs in tea and peppermint.
4,5-Dimethyl-2-(1-methylethyl)thiazole
Volatile flavour component of cooked potatoes, roasted peanuts, roast beef, fried chicken and roast cocoa beans. 4,5-Dimethyl-2-(1-methylethyl)thiazole is found in many foods, some of which are animal foods, nuts, potato, and cocoa and cocoa products. 4,5-Dimethyl-2-(1-methylethyl)thiazole is found in animal foods. 4,5-Dimethyl-2-(1-methylethyl)thiazole is a volatile flavour component of cooked potatoes, roasted peanuts, roast beef, fried chicken and roast cocoa beans.
7-Isothiocyanato-1-heptene
7-Isothiocyanato-1-heptene is found in brassicas. 7-Isothiocyanato-1-heptene is isolated from a hydrolysate of Wasabia japonica (Japanese horseradish). Isolated from a hydrolysate of Wasabia japonica (Japanese horseradish). 7-Isothiocyanato-1-heptene is found in brassicas.
2-Pentylthiazole
2-Pentylthiazole is found in cocoa and cocoa products. 2-Pentylthiazole is a flavour enhancer for tomato products; flavour component of roast cocoa beans. Flavour enhancer for tomato products; flavour component of roast cocoa beans. 2-Pentylthiazole is found in cocoa and cocoa products.
4-Butyl-5-methylthiazole
Bell-pepper odour; claimed food uses are not well documented. Bell-pepper odour; claimed food uses are not well documented
4-Ethyl-5-propylthiazole
Bell-pepper odour; claimed food uses are not well documented. Bell-pepper odour; claimed food uses are not well documented
2,4-Dimethyl-5-propylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
2,5-Dimethyl-4-propylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
4,5-Dimethyl-2-propylthiazole
4,5-Dimethyl-2-propylthiazole is found in animal foods. 4,5-Dimethyl-2-propylthiazole is a volatile component of cooked beef flavour and yeast extract. Volatile component of cooked beef flavour and yeast extract. 4,5-Dimethyl-2-propylthiazole is found in mushrooms and animal foods.
2,5-Diethyl-4-methylthiazole
2,5-Diethyl-4-methylthiazole is found in animal foods. 2,5-Diethyl-4-methylthiazole is a volatile flavour component of cooked pork, roast beef and baked potatoes. Volatile flavour component of cooked pork, roast beef and baked potatoes. 2,5-Diethyl-4-methylthiazole is found in animal foods and potato.
2-Butyl-4-methylthiazole
2-Butyl-4-methylthiazole is classified as a Natural Food Constituent (code WA) in the DFC. Classified as a Natural Food Constituent (code WA) in the DFC
4-Butyl-2-methylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
2-Ethyl-4-propylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
4-Ethyl-2-propylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
2-Phenylpyridine
2-phenylpyridine is a member of the class of compounds known as phenylpyridines. Phenylpyridines are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. 2-phenylpyridine is slightly soluble (in water) and a strong basic compound (based on its pKa). 2-phenylpyridine can be found in sweet orange and tea, which makes 2-phenylpyridine a potential biomarker for the consumption of these food products. The compound is prepared by the reaction of phenyl lithium with pyridine: C6H5Li + C5H5N → C6H5-C5H4N + LiH The reaction of iridium trichloride with 2-phenylpyridine proceeds via cyclometallation to give the chloride-bridged complex: 4 C6H5-C5H4N + 2 IrCl3(H2O)3 → Ir2Cl2(C6H4-C5H4N)4 + 4 HCl This complex can be converted to the pictured tris(cyclometallated) derivative .
2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid
bemegride
R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D019141 - Respiratory System Agents Bemegride (3-Ethyl-3-methylglutarimide) is a central nervous system stimulant and antidote for barbiturate poisoning[1][2].
3-Ethyl-5-hydroxy-4,5-dimethyl-pyrrolin-2-one
3-Phenylpyridine
3-phenylpyridine is a member of the class of compounds known as phenylpyridines. Phenylpyridines are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. 3-phenylpyridine is slightly soluble (in water) and a strong basic compound (based on its pKa). 3-phenylpyridine can be found in peppermint, sweet orange, and tea, which makes 3-phenylpyridine a potential biomarker for the consumption of these food products. The compound is prepared by the reaction of phenyl lithium with pyridine: C6H5Li + C5H5N ‚Üí C6H5-C5H4N + LiH The reaction of iridium trichloride with 2-phenylpyridine proceeds via cyclometallation to give the chloride-bridged complex: 4 C6H5-C5H4N + 2 IrCl3(H2O)3 ‚Üí Ir2Cl2(C6H4-C5H4N)4 + 4 HCl This complex can be converted to the pictured tris(cyclometallated) derivative . 3-phenylpyridine is a member of the class of compounds known as phenylpyridines. Phenylpyridines are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. 3-phenylpyridine is slightly soluble (in water) and a strong basic compound (based on its pKa). 3-phenylpyridine can be found in peppermint, sweet orange, and tea, which makes 3-phenylpyridine a potential biomarker for the consumption of these food products. The compound is prepared by the reaction of phenyl lithium with pyridine: C6H5Li + C5H5N → C6H5-C5H4N + LiH The reaction of iridium trichloride with 2-phenylpyridine proceeds via cyclometallation to give the chloride-bridged complex: 4 C6H5-C5H4N + 2 IrCl3(H2O)3 → Ir2Cl2(C6H4-C5H4N)4 + 4 HCl This complex can be converted to the pictured tris(cyclometallated) derivative .
4-hydroxy-5-methyl-2-propyl-3(2H)-furanone
4-hydroxy-5-methyl-2-propyl-3(2h)-furanone is also known as hmpf. 4-hydroxy-5-methyl-2-propyl-3(2h)-furanone is soluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxy-5-methyl-2-propyl-3(2h)-furanone can be found in a number of food items such as sago palm, cardamom, thistle, and chickpea, which makes 4-hydroxy-5-methyl-2-propyl-3(2h)-furanone a potential biomarker for the consumption of these food products.
HISTIDINE
L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport. L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport. L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport.
4-Chloro-N,N-dimethylaniline
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3477
6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
Scopine
Scopine is a natural product found in Datura stramonium with data available. Scopine is the metabolite of anisodine, which is a α1-adrenergic receptor agonist and used in the treatment of acute circulatory shock. Target: α1-Adrenergic Receptor Scopine is a tropane alkaloid found in a variety of plants including Mandragora root, Senecio mikanoides (Delairea odorata), Scopolia carniolica and Scopolia lurida. Scopine can be prepared by the hydrolysis of scopolamine. From Wikipedia. Scopine is the metabolite of anisodine, which is a α1-adrenergic receptor agonist and used in the treatment of acute circulatory shock. Target: α1-Adrenergic Receptor Scopine is a tropane alkaloid found in a variety of plants including Mandragora root, Senecio mikanoides (Delairea odorata), Scopolia carniolica and Scopolia lurida. Scopine can be prepared by the hydrolysis of scopolamine. From Wikipedia. Scopine is the metabolite of anisodine, which is a α1-adrenergic receptor agonist and used in the treatment of acute circulatory shock. Target: α1-Adrenergic Receptor Scopine is a tropane alkaloid found in a variety of plants including Mandragora root, Senecio mikanoides (Delairea odorata), Scopolia carniolica and Scopolia lurida. Scopine can be prepared by the hydrolysis of scopolamine. From Wikipedia.
Histidine
An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. The L-enantiomer of the amino acid histidine. Histidine (symbol His or H)[2] is an essential amino acid that is used in the biosynthesis of proteins. It contains an α-amino group (which is in the protonated –NH3+ form under biological conditions), a carboxylic acid group (which is in the deprotonated –COO− form under biological conditions), and an imidazole side chain (which is partially protonated), classifying it as a positively charged amino acid at physiological pH. Initially thought essential only for infants, it has now been shown in longer-term studies to be essential for adults also.[3] It is encoded by the codons CAU and CAC. Histidine was first isolated by Albrecht Kossel and Sven Gustaf Hedin in 1896.[4] The name stems from its discovery in tissue, from ἱστός histós "tissue".[2] It is also a precursor to histamine, a vital inflammatory agent in immune responses. The acyl radical is histidyl. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.046 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.045 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.043 L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport. L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport. L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport.
L-Histidine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; HNDVDQJCIGZPNO_STSL_0107_Histidine_8000fmol_180430_S2_LC02_MS02_142; 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. L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport. L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport. L-Histidine is an essential amino acid for infants. L-Histidine is an inhibitor of mitochondrial glutamine transport.
DCA_156.0575_17.7
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 400
1H-Imidazole-4-carboxamide,5-hydroxy-N,N-dimethyl-(9CI)
2H-1,2,3-Triazole-4-carboxylicacid,2-ethyl-,methylester(9CI)
1H-1,2,3-Triazole-5-carboxylicacid,1-ethyl-,methylester(9CI)
1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
3-ENDO-AMINOBICYCLO[2.2.1]HEPTANE-2-ENDO-CARBOXYLIC ACID MONOHYDRATE
Acetamide,2-cyano-N-methyl-N-[(methylamino)carbonyl]-
Benzenemethanol, α-(aminomethyl)-4-fluoro-, (alphaS)- (9CI)
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole,hydrochloride
(r)-endo-cis-2-azabicyclo [3,3,0]octane-3-carboxylic acid
1H-Pyrrole-2-carboxylicacid,4-hydroxy-5-methyl-,methylester(9CI)
1-Cyclohexene-1-carboxylicacid,4-(aminomethyl)-(9CI)
1H,3H-Pyrrolo[1,2-c]oxazole-1,3-dione,tetrahydro-7a-methyl-,(S)-(9CI)
OCTAHYDRO-CYCLOPENTA[C]PYRROLE-1-CARBOXYLIC ACID HYDROCHLORIDE
1H-1,2,4-Triazole-5-carboxylicacid,1-ethyl-,hydrazide(9CI)
1H-1,2,4-Triazole-5-carboxaldehyde, 1-(2-methoxyethyl)- (9CI)
Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel- (9CI)
1H-Imidazole-4-carboxamide,5-hydroxy-N,1-dimethyl-
1H-Imidazole-2-carboxylicacid,4-(2-aminoethyl)-(9CI)
methyl 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylate
3-Aminophenylboronic acid monohydrate
C6H10BNO3 (155.07537000000002)
1H-Imidazole-4-carboxamide,5-hydrazino-N-methyl-(9CI)
trimethyl-(4-methyl-1,3-oxazol-2-yl)silane
C7H13NOSi (155.07663680000002)
1,3,5-Triazin-2(1H)-one,4,6-bis(methylamino)-(9CI)
TRICYCLO[3.2.1.02,4]OCT-6-ENE-3-CARBOXYLIC ACID (7CI)
3,3-Dimethyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
1H-Imidazole-1-aceticacid,4-amino-,methylester(9CI)
1H-1,2,4-Triazole-3-carboxamide,5-(aminomethyl)-1-methyl-(9CI)
1H-Pyrazole-4-aceticacid,alpha-amino-1-methyl-(9CI)
Cyclopropanecarboxylic acid,1-amino-2-ethenyl-,ethylester,(1R,2S)-(9CI)
1H-Azepine-3-carboxaldehyde, hexahydro-1-methyl-2-oxo- (9CI)
3-Oxa-1-azaspiro[4.4]nonane-2,4-dione(6CI,7CI,8CI,9CI)
1H-Pyrazole-5-carboxylicacid,1-amino-3-methyl-,methylester(9CI)
2-Amino-cyclopent-1-enecarboxylic acid ethyl ester
2-Propenoic acid,3-(1-pyrrolidinyl)-, methyl ester
2H-1,4-Oxazin-2-one,3,6-dihydro-3,5,6,6-tetramethyl-(9CI)
1H-1,2,3-Triazole-4-carboxylicacid,1-ethyl-,methylester(9CI)
2,4-Pyrrolidinedione,1-methyl-5-(1-methylethyl)-(9CI)
1-Azabicyclo[2.2.2]octane-2-carboxylicacid,(R)-(9CI)
(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid
2-Oxa-5-azaspiro[3.4]octan-1-one,3,3-dimethyl-(9CI)
METHYL 4-AMINO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLATE
3-Cyclopentene-1-carboxamide,N-methoxy-N-methyl-(9CI)
6-Amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid
(2S,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-hydroxy-5-methyl-2-propyl-3(2H)-furanone
4-hydroxy-5-methyl-2-propyl-3(2h)-furanone is also known as hmpf. 4-hydroxy-5-methyl-2-propyl-3(2h)-furanone is soluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxy-5-methyl-2-propyl-3(2h)-furanone can be found in a number of food items such as sago palm, cardamom, thistle, and chickpea, which makes 4-hydroxy-5-methyl-2-propyl-3(2h)-furanone a potential biomarker for the consumption of these food products.
3-(Imidazol-5-yl)lactate
The hydroxy monocarboxylic acid anion that is the conjugate base of 3-(imidazol-5-yl)lactic acid.
(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylate
(5R,6R)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid
(5R,6R)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylate
6-Ammonio-5-hydroxycyclohexa-1,3-diene-1-carboxylate
(2Z,4E)-2-amino-5-methyl-6-oxohexa-2,4-dienoic acid
3-(4-oxo-4,5-dihydro-1H-imidazol-3-ium-5-id-5-yl)propanoate
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(S)-3-(Imidazol-5-yl)lactate
The conjugate base of (S)-3-(imidazol-5-yl)lactic acid; major species at pH 7.3.
(2R,3S)-2,3-dihydro-3-hydroxyanthranilic acid
A 2,3-dihydro-3-hydroxyanthranilic acid in which the stereocentre attached to the amino group has R-configuration, whilst that attached to the hydroxy group has S-configuration.
(1R,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
A 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid in which both stereocentres have R-configuration.
(2S,3R)-2,3-dihydro-3-hydroxyanthranilic acid
A 2,3-dihydro-3-hydroxyanthranilic acid in which the stereocentre attached to the amino group has S-configuration, whilst that attached to the hydroxy group has R-configuration.
(1S,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
A 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid in which both stereocentres have S-configuration.
(1S,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
A 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid in which stereocentre attached to the carboxylic acid group has S-configuration, while that attached to the amino group has R-configuration.
6-Ammonio-5-oxocyclohex-2-ene-1-carboxylate
An amino acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid zwitterion.
(5R,6S)-6-ammonio-5-hydroxycyclohexa-1,3-diene-1-carboxylate
(1R,6R)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate
An amino acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (1R,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid.
(1S,6R)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate
An amino acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (1S,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid.
(2S,3S)-trans-2,3-Dihydro-3-hydroxyanthranilic acid
(2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid
(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
A 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid in which stereocentre attached to the carboxylic acid group has R-configuration, while that attached to the amino group has S-configuration.
L-histidine zwitterion
Zwitterionic form of L-histidine having an anionic carboxy group and a protonated alpha-amino group.
(1R,6S)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate
An amino acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid.
2,3-dihydro-3-hydroxyanthranilic acid
An amino alcohol which is 2,3-dihydranthranilic acid in which a hydrogen at position 3 is substituted by a hydroxy group.
(2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid
A 2,3-dihydro-3-hydroxyanthranilic acid in which both stereocentres have R-configuration.
(2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion
A 2,3-dihydro-3-hydroxyanthranilic acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid.
3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1-)
A monocarboxylic acid anion that is the conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3-(pyrazol-1-yl)-L-alanine zwitterion
Zwitterionic form of 3-(pyrazol-1-yl)-L-alanine having an anionic carboxy group and a protonated alpha-amino group; major species at pH 7.3.
(2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid
A 2,3-dihydro-3-hydroxyanthranilic acid in which both stereocentres have S-configuration.
(2R,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion
A 2,3-dihydro-3-hydroxyanthranilic acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (2R,3S)-2,3-dihydro-3-hydroxyanthranilic acid.
(2S,3R)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion
A 2,3-dihydro-3-hydroxyanthranilic acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (2S,3R)-2,3-dihydro-3-hydroxyanthranilic acid.
2,3-dihydro-3-hydroxyanthranilic acid zwitterion
An amino acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of 2,3-dihydro-3-hydroxyanthranilic acid.
(2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion
A 2,3-dihydro-3-hydroxyanthranilic acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid.
D-histidine zwitterion
A polar amino acid zwitterion restulting from the transfer of a proton from the carboxy group to the alpha-amino group of D-histidine. The major species at pH 7.3.