Exact Mass: 155.0517
Exact Mass Matches: 155.0517
Found 500 metabolites which its exact mass value is equals to given mass value 155.0517,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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.
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.
N-Methylethanolaminium phosphate
This compound belongs to the family of Phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.
Mechlorethamine
Mechlorethamine is only found in individuals that have used or taken this drug. It is a vesicant and necrotizing irritant destructive to mucous membranes. It was formerly used as a war gas. The hydrochloride is used as an antineoplastic in Hodgkins disease and lymphomas. It causes severe gastrointestinal and bone marrow damage. [PubChem]Alkylating agents work by three different mechanisms: 1) attachment of alkyl groups to DNA bases, resulting in the DNA being fragmented by repair enzymes in their attempts to replace the alkylated bases, preventing DNA synthesis and RNA transcription from the affected DNA, 2) DNA damage via the formation of cross-links (bonds between atoms in the DNA) which prevents DNA from being separated for synthesis or transcription, and 3) the induction of mispairing of the nucleotides leading to mutations. Mechlorethamine is cell cycle phase-nonspecific. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D007509 - Irritants
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
5-Acetyl-2,4-dimethylthiazole
5-Acetyl-2,4-dimethylthiazole is a flavouring ingredient. Flavouring ingredient
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 .
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.
6-hydroxy-2-cyclohexen-one-carboxylate
6-hydroxy-2-cyclohexen-one-carboxylate, also known as hcc, is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 6-hydroxy-2-cyclohexen-one-carboxylate is soluble (in water) and a weakly acidic compound (based on its pKa). 6-hydroxy-2-cyclohexen-one-carboxylate can be found in a number of food items such as avocado, bitter gourd, endive, and pepper (c. frutescens), which makes 6-hydroxy-2-cyclohexen-one-carboxylate 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
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)
Acetamide,2-cyano-N-methyl-N-[(methylamino)carbonyl]-
Phosphonous dichloride,(2-chloro-1,1-dimethylethyl)- (8CI,9CI)
Benzenemethanol, α-(aminomethyl)-4-fluoro-, (alphaS)- (9CI)
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole,hydrochloride
1H-Pyrrole-2-carboxylicacid,4-hydroxy-5-methyl-,methylester(9CI)
1H,3H-Pyrrolo[1,2-c]oxazole-1,3-dione,tetrahydro-7a-methyl-,(S)-(9CI)
1H-1,2,4-Triazole-5-carboxaldehyde, 1-(2-methoxyethyl)- (9CI)
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazol-6-amine,3-methyl-
1H-Imidazole-4-carboxamide,5-hydroxy-N,1-dimethyl-
1H-Imidazole-4-carboxylicacid,5-(aminocarbonyl)-(9CI)
1H-Imidazole-2-carboxylicacid,4-(2-aminoethyl)-(9CI)
5-Pyrimidinecarboxaldehyde, 6-amino-1,2,3,4-tetrahydro-2,4-dioxo- (9CI)
TRICYCLO[3.2.1.02,4]OCT-6-ENE-3-CARBOXYLIC ACID (7CI)
1H-Imidazole-1-aceticacid,4-amino-,methylester(9CI)
5-Pyrimidinecarboxaldehyde, 4-amino-1,2,5,6-tetrahydro-2,6-dioxo- (9CI)
1H-Pyrazole-4-aceticacid,alpha-amino-1-methyl-(9CI)
1H-Imidazole-2-carboxaldehyde, 1-methyl-4-nitro- (9CI)
Thieno[2,3-c]pyridin-4-ol, 4,5,6,7-tetrahydro- (9CI)
3-Oxa-1-azaspiro[4.4]nonane-2,4-dione(6CI,7CI,8CI,9CI)
4-Pyrimidinecarboxylicacid, 2-amino-1,6-dihydro-6-oxo-
1H-Pyrazole-5-carboxylicacid,1-amino-3-methyl-,methylester(9CI)
1H-Imidazole-5-carboxaldehyde,1-methyl-4-nitro-(9CI)
1H-1,2,3-Triazole-4-carboxylicacid,1-ethyl-,methylester(9CI)
(2Z)-3-(5-Hydroxy-1H-1,2,4-triazol-3-yl)acrylic acid
METHYL 4-AMINO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLATE
5-HYDROXY-3-METHYL-1,2,4-TRIAZINE-6-CARBOXYLIC ACID
4-Pyrimidinecarboxamide,1,2,3,6-tetrahydro-2,6-dioxo-
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
(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate
(2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoate
A 2-hydroxy-6-oxo-2,4-heptadienoate which has 2Z,4E configuration. Obtained by deprotonation of the carboxy group of (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid, it is the major species at pH 7.3.
(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
2-Hydroxy-6-oxo-2,4-heptadienoate
A 6-oxo monocarboxylic acid anion that is the conjugate base of 2-hydroxy-6-oxo-2,4-heptadienoic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3.
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.
4-Carboxylatomethyl-3-methylbut-2-en-1,4-olide(1-)
(1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
(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.
Chlormethine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D007509 - Irritants
N-Methylethanolamine phosphate
The O-phospho derivative of N-methylethanolamine.
(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.
5-carboxycytosine
A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a carboxy group.
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.
