Exact Mass: 218.1055224
Exact Mass Matches: 218.1055224
Found 500 metabolites which its exact mass value is equals to given mass value 218.1055224,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Abrine
N(alpha)-methyl-L-tryptophan is a N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. It has a role as an Escherichia coli metabolite. It is a L-tryptophan derivative and a N-methyl-L-alpha-amino acid. It is a tautomer of a N(alpha)-methyl-L-tryptophan zwitterion. N-Methyltryptophan is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). A N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.216 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.210 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.211 L-(+)-Abrine, a lethal albumin found in Abrus precatorius seeds, is an acute toxic alkaloid and chemical marker for abrin. L-(+)-Abrine, a lethal albumin found in Abrus precatorius seeds, is an acute toxic alkaloid and chemical marker for abrin.
N-Acetylserotonin
N-Acetylserotonin (NAS), also known as normelatonin, is a naturally occurring chemical precursor and intermediate in the endogenous production of melatonin from serotonin. It also has biological activity in its own right, including acting as a melatonin receptor agonist, an agonist of the TrkB, and having antioxidant effects. N-Acetylserotonin is an intermediate in the metabolic pathway of melatonin and indoleamine in the pineal gland of mammalians. Serotonin-N-acetyltransferase (SNAT), which regulates the rate of melatonin biosynthesis in the pineal gland, catalyzes the acetylation of 5HT to N-acetylserotonin (NAS). A methyl group from S-adenosylmethionine is transferred to NAS by hydroxyindole-O-methyltransferase (HIOMT), and finally NAS is converted to 5-methoxy-N-acetyltryptamine, or melatonin. In most mammalian species the content of NAS (and melatonin) in the pineal gland shows clear circadian changes with the highest level occurring during the dark period. This elevation of the contents of NAS (and melatonin) in the dark period is due to the increase of SNAT activity and the elevation of SNAT gene expression. Experimental studies show that N-acetylserotonin possess free radical scavenging activity. Acute administration of irreversible and reversible selective MAO-A inhibitors and high doses (or chronic administration of low doses) of relatively selective MAO-B inhibitors (but not of highly selective MAO-B inhibitors) suppressed MAO-A activity and stimulated N-acetylation of pineal serotonin into N-acetylserotonin, the immediate precursor of melatonin. N-acetylserotonin increase after MAO-A inhibitors might mediate their antidepressive and antihypertensive effects. N-Acetylserotonin is the product of the O-demethylation of melatonin mediated by cytochrome P-450 isoforms: Cytochrome p450, subfamily IIc, polypeptide 19 (CYP2C19, a clinically important enzyme that metabolizes a wide variety of drugs), with a minor contribution from Cytochrome p450, subfamily I, polypeptide (2CYP1A2, involved in O-deethylation of phenacetin). (PMID 15616152, 11103901, 10721079, 10591054). N-Acetylserotonin acts as a potent antioxidant, NAS effectiveness as an anti-oxidant has been found to be different depending on the experimental model used, it has been described as being between 5 and 20 times more effect than melatonin at protecting against oxidant damage. NAS has been shown to protect against lipid peroxidation in microsomes and mitochondria. NAS has also been reported to lower resting levels of ROS in peripheral blood lymphocytes and to exhibit anti-oxidant effects against t-butylated hydroperoxide- and diamide-induced ROS. N-acetyl serotonin, also known as N-acetyl-5-hydroxytryptamine or N-(2-(5-hydroxy-1h-indol-3-yl)ethyl)acetamide, is a member of the class of compounds known as hydroxyindoles. Hydroxyindoles are organic compounds containing an indole moiety that carries a hydroxyl group. N-acetyl serotonin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). N-acetyl serotonin can be found in a number of food items such as tronchuda cabbage, winter savory, rambutan, and poppy, which makes N-acetyl serotonin a potential biomarker for the consumption of these food products. N-acetyl serotonin can be found primarily in blood and urine, as well as in human kidney and liver tissues. In humans, N-acetyl serotonin is involved in the tryptophan metabolism. Moreover, N-acetyl serotonin is found to be associated with schizophrenia. N-Acetyl-5-hydroxytryptamine is a Melatonin precursor, and that it can potently activate TrkB receptor.
Primidone
An antiepileptic agent related to the barbiturates; it is partly metabolized to phenobarbital in the body and owes some of its actions to this metabolite. Adverse effects are reported to be more frequent than with phenobarbital. (From Martindale, The Extra Pharmacopoeia, 30th ed, p309) N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants EAWAG_UCHEM_ID 195; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 195 CONFIDENCE standard compound; INTERNAL_ID 4095 INTERNAL_ID 4095; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8502 CONFIDENCE standard compound; INTERNAL_ID 1516 KEIO_ID P061
L-Lysopine
L-Lysopine is isolated from crown gall tumours of various plants including tomato, jerusalem artichoke and salsify. Isolated from crown gall tumours of various plants including tomato, jerusalem artichoke and salsify. N2-[(1R)-1-Carboxyethyl]-L-lysine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=34522-31-1 (retrieved 2024-08-20) (CAS RN: 34522-31-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
L-2-Methyltryptophan
An L-tryptophan derivative in which the hydrogen at position 2 on the indole ring is replaced by a methyl group.
THIOFANOX
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Mephenytoin
Mephenytoin is a hydantoin-derivative anticonvulsant used to control various partial seizures. It is generally reserved for treatment of individuals refractory to less toxic agents. Mephenytoin and oxazolidinedione derivatives are associated with higher incidences of blood dyscrasias compared to other anticonvulsants. As such, these agents should not be used concurrently. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Alanylglutamic acid
C8H14N2O5 (218.09026740000002)
Alanylglutamic acid is a dipeptide composed of alanine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Ala-Glu-OH is an agent of the dipeptide[1][2].
Ala-Glu-OH
C8H14N2O5 (218.09026740000002)
Ala-Glu-OH is an agent of the dipeptide[1][2].
Di-tert-butyl dicarbonate
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3156
Meprobamate
A carbamate with hypnotic, sedative, and some muscle relaxant properties, although in therapeutic doses reduction of anxiety rather than a direct effect may be responsible for muscle relaxation. Meprobamate has been reported to have anticonvulsant actions against petit mal seizures, but not against grand mal seizures (which may be exacerbated). It is used in the treatment of anxiety disorders, and also for the short-term management of insomnia but has largely been superseded by the benzodiazepines. (From Martindale, The Extra Pharmacopoeia, 30th ed, p603) Meprobamate is a controlled substance in the U.S. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BC - Carbamates D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
3-Hydroxysebacic acid
3-Hydroxydecanedioic is a dicarboxylic acid that belongs to the class of compounds known hydroxy fatty acids. Hydroxy fatty acids are fatty acids that have hydroxyl functional groups attached to the principal chain. 3-Hydroxydecanedioic acid is found in most vertebrates. Urine from patients with ketoacidosis typically contains a number of aliphatic 3-hydroxy dicarboxylic acids, with the major compound being 3-hydroxydecanedioic acid (PMID: 7353273). The excretion of 3-hydroxydecanedioic acid is correlated with the excretion of hexanedioic acid, another metabolite frequently found in ketoacidosis (PMID: 5031780). It is thought that the 3-hydroxy dicarboxylic acids such as 3-hydroxydecanedioic acid are formed from fatty acids by a combination of omega-oxidation and incomplete beta-oxidation (PMID: 7353273). Marked elevation of urinary 3-hydroxydecanedioic acid has also been reported in a malnourished infant with glycogen storage disease (PMID: 8295400). Subsequent studies have shown that increased amounts of dicarboxylic acids, such as 3-hydroxydecanedioic acid, are typically excreted in human urine under conditions of medium-chain triglyceride (MCT) feeding, abnormal fatty acid oxidation (FAO) and fasting (PMID: 8596483). 3-Hydroxysebacic acid is a normal urinary 3-hydroxydicarboxylic acid metabolite and can be elevated in patients with peroxisomal disorders such as Zellweger syndrome. Marked elevation of urinary 3- Hydroxysebacic acid has also been described in a malnourished infant with glycogen storage disease, mimicking long-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (OMIM 300438, a defect in the beta-oxidation of fatty acids characterized by massive excretion of 3-hydroxydicarboxylic acids in the urine and accumulation of 3-hydroxy fatty acids in serum). (PMID 12860034, 14708889, 8295400) [HMDB]
Isoleucyl-Serine
Isoleucyl-Serine is a dipeptide composed of isoleucine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
gamma-Glutamylalanine
C8H14N2O5 (218.09026740000002)
gamma-Glutamylalanine is a dipeptide composed of gamma-glutamate and alanine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylalanine is a natural substrate of the enzyme (5-L-glutamyl)-L-amino acid 5-glutamyltransferase (cyclizing) (g-glutamylcyclotransferase, EC 2.3.2.2) in the glutathione metabolism pathway, which cleaves gamma-glutamylalanine to produce L-5-oxoproline. gamma-Glutamylcyclotransferase is widely distributed in both human and animal tissues where it catalyzes the scission of the y-peptide bonds of many different gamma-glutamyl-amino acids and gamma-glutamyl-gamma-glutamyl-amino acids. The latter are better substrates of the enzyme than the corresponding gamma-glutamyl-amino acids (PMID: 2570694, 2893631). 5-L-Glutamyl-L-alanine is a natural substrate of the enzyme 5-L-glutamyl)-L-amino acid 5-glutamyltransferase (cyclizing) (g-glutamylcyclotransferase, EC 2.3.2.2) in the glutathione metabolism pathway, which cleaves 5-L-Glutamyl-L-alanine, producing L-5-oxoproline. gamma-Glutamylcyclotransferase is widely distributed in both human and animal tissues where it catalyzes the scission of the y-peptide bonds of many different gamma-glutamyl-aminoacids and gamma-glutamyl-gamma-glutamyl-amino-acids. The latter are better substrates of the enzyme than the corresponding gamma-glutamyl - amino-acids. (PMID: 2570694, 2893631) [HMDB]
(R)-Bitalin A
(R)-Bitalin A is found in herbs and spices. (R)-Bitalin A is a constituent of Helichrysum italicum (curry plant). Constituent of Helichrysum italicum (curry plant). (R)-Bitalin A is found in tea and herbs and spices.
Glutamylalanine
C8H14N2O5 (218.09026740000002)
Glutamylalanine is a naturally occurring dipeptide, composed of glutamate and alanine. Glutamylalanine is essential in the supply of glutamate to human erythrocytes. Human erythrocytes are essentially impermeable to glutamate and yet there is a continual requirement for the amino acid for glutathione synthesis. In addition, the intracellular glutamate concentration is approximately five times that of plasma. Glutamylalanine enters the human erythrocyte through saturable membrane-transport systems describable by Michaelis-Menten kinetics. The cytosolic red cell peptidases have a vast capacity to hydrolyse the dipeptide in a process also describable by simple Michaelis-Menten kinetics. The transport process is the rate-determining step in the pathway leading to the production of intracellular glutamate from extracellular glutamylalanine. Glutamylalanine is transported by the human oligopeptide transporter, hPepT1, situated in the small intestine, which is involved in the absorption of nutrient oligopeptides and transports numerous di- and tripeptides. This active transport is being tested for use as a strategy to increase the permeability across the intestine for larger biologically active molecules with low intestinal permeability, in a therapeutic attempt to transport dipeptide-coupled active drug substances via hPepT1 (PMID: 2860897, 11557350).
Valylthreonine
Valylthreonine is a dipeptide composed of valine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2-Hydroxydecanedioic acid
2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344) [HMDB] 2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344).
Hydroxyprolyl-Serine
C8H14N2O5 (218.09026740000002)
Hydroxyprolyl-Serine is a dipeptide composed of hydroxyproline and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Serine
Leucyl-Serine is a dipeptide composed of leucine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylhydroxyproline
C8H14N2O5 (218.09026740000002)
Serylhydroxyproline is a dipeptide composed of serine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Serylisoleucine
Serylisoleucine is a dipeptide composed of serine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
5-Hydroxysebacate
5-hydroxysebacate is a metabolite found in the urine of patients with peroxismal diseases.
N-gamma-L-Glutamyl-D-alanine
C8H14N2O5 (218.09026740000002)
N-gamma-L-Glutamyl-D-alanine is found in pulses. N-gamma-L-Glutamyl-D-alanine is isolated from young pea shoots Pisum sativu Isolated from young pea shoots Pisum sativum. N-gamma-L-Glutamyl-D-alanine is found in pulses and common pea.
S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate
S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is found in fruits. S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is isolated from yellow passion fruit (Passiflora edulis). S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is a flavouring ingredient. Isolated from yellow passion fruit (Passiflora edulis). Flavouring ingredient. 3-Acetylmercaptohexyl acetate is found in fruits.
3H-Pyrazol-3-one, 1,2-dihydro-4-(hydroxymethyl)-1,5-dimethyl-2-phenyl-
(S,E)-2-(5-Hydroxy-8,9-dihydro-5H-benzo[7]annulen-6(7H)-ylidene)acetic acid
Rogletimide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
N-Formylcytisine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.387 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.383 (-)-N-Formylcytisine is a natural product found in Thermopsis lanceolata, Sophora chrysophylla, and other organisms with data available. N-Formylcytisine is a cytisine-type alkaloid from the stem bark of Maackia amurensis[1].
ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
2-(1-Methylethenyl)-5-hydroxy-6-acetyl-2,3-dihydrobenzofuran
1-(6-hydroxy-2-isopropyl-benzofuran-5-yl)-ethanone|5-Acetyl-6-hydroxy-2-isopropylbenzofuran|5-Acetyl-6-hydroxy-2-isopropylbenzofuran|dihydroeuparin|Isohydroxytremeton
(2Z,6S)-3-Chloromethyl-6-methoxyl-7-methylocta-2,7(10)-dien-1-ol|6-Me ether-3-Chloromethyl-7-methyl-2, 7-octadiene-1, 6-diol
(2Z,6S)-3-Chloromethyl-1-methoxyl-7-methylocta-2,7(10)-dien-6-ol
2-penta-1,3-dienyl-2,3-dihydro-1-benzofuran-5,7-diol
4-Hydroxy-3-(3-methyl-4-oxo-2(E)-butenyl)acetophenon|4-Hydroxy-3-<3-methyl-4-oxo-2(E)-butenyl>acetophenon|Artemispermal
(2-(2)H2)(3aR,8aS)-1-acetyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-3a-ol
methyl 2-isopropenyl-2,3-dihydrobenzofuran-5-carboxylate
2-propenyl-5-acetyl-7-hydroxy-2,3-dihydrobenzofuran
heliopine|N2-(1R-carboxyethyl)-L-glutamine|vitopine
C8H14N2O5 (218.09026740000002)
5-(1-Hydroxyethyl)-2-(1-methylethylidene)-3(2H)-benzofuranone
(2E,10R*,10aS*)-2-ethylidine-2,3,10,10a-tetrahydro-10-hydroxy-1H,5H-dipyrrolo<1,2-c:21-f>pyrimidin-5-one|(2E,10R*,10aS*)-2-ethylidine-2,3,10,10a-tetrahydro-10-hydroxy-1H,5H-dipyrrolo[1,2-c:21-f]pyrimidin-5-one
2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol
4-Acetyl-2,3-dihydro-5-hydroxy-2-isopropenylbenzofuran
1-[2-(1-Methyl-2-hydroxyethyl)benzofuran-5-yl]ethanone
5-Acetyl-2,3-dihydro-7-hydroxy-2-isopropenylbenzofuran
1-Methyltryptophan
A tryptophan derivative that is tryptophan carrying a single methyl substituent at position 1 on the indole. 1-methyl-L-tryptophan is an indolyl carboxylic acid.
2,2-DIMETHYL-6-ACETYL CHROMANONE
6-Acetyl-2,2-dimethylchroman-4-one is a natural product found in Tussilago farfara, Madia sativa, and other organisms with data available.
L-beta-Homotryptophan
Acquisition and generation of the data is financially supported in part by CREST/JST.
primidone
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
N-Acetylserotonin
An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. N-Acetyl-5-hydroxytryptamine is a Melatonin precursor, and that it can potently activate TrkB receptor.
(2R)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol
3-Hydroxysebacic acid
An alpha,omega-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3.
1COOH-2But-A7-OCH2COOH
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(2R)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol_major
MEPHENYTOIN
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Glu-ala
C8H14N2O5 (218.09026740000002)
A dipeptide formed from L-alpha-glutamyl and L-alanine residues.
Hpro-ser
C8H14N2O5 (218.09026740000002)
Ser-hpro
C8H14N2O5 (218.09026740000002)
N-gamma-L-Glutamyl-D-alanine
C8H14N2O5 (218.09026740000002)
2-(1,1,2,2,2-pentadeuterioethylamino)-1-phenylpropan-1-one,hydrochloride
CARBAMIC ACID, (2-CYANOPHENYL)-, 1,1-DIMETHYLETHYL ESTER
(1-Methyl-1H-benzoimidazol-2-yl)-acetic acid ethyl ester
3-METHOXY-4-(4-METHYL-IMIDAZOL-1-YL)-PHENYL]-METHANOL
ETHYL 1-OXO-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE
1-CYCLOPENTYL-6-FLUORO-3-METHYL-1H-INDAZOLE
C13H15FN2 (218.12192019999998)
4-(3-MORPHOLINOPROPYL)-3-THIOSEMICARBAZIDE
C8H18N4OS (218.12012579999998)
TERT-BUTYL (1-CYANO-2,2-DIFLUOROCYCLOPROPYL)CARBAMATE
3-(2-Amino-ethyl)-2-methyl-1H-indole-5-carboxylic acid
1H-Imidazole,1-ethyl-2-[2-(3-methyl-2-thienyl)ethenyl]-(9CI)
1-CYCLOBUTYL-3-ETHYL-6-FLUORO-1H-INDAZOLE
C13H15FN2 (218.12192019999998)
5-Methyltryptophan
A tryptophan derivative that is tryptophan substituted by a methyl group at position 5 of the indole ring.
METHYL 1-ISOPROPYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
METHYL 1-ETHYL-2-METHYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
Methyl 1-propyl-1H-benzo[d]imidazole-6-carboxylate
Methyl 1-isopropyl-1H-benzo[d]imidazole-6-carboxylate
(1R,5S)-3-BENZYL-6-NITRO-3-AZABICYCLO[3.1.0]HEXANE
C-[2-(3,5-DIMETHYL-PHENYL)-THIAZOL-4-YL]-METHYLAMINE
2-PIPERIDINYL(1-PYRROLIDINYL)METHANONE HYDROCHLORIDE
C10H19ClN2O (218.11858339999998)
7-Fluoro-3-(piperidin-4-yl)-1H-indole
C13H15FN2 (218.12192019999998)
4-Fluoro-3-(piperidin-4-yl)-1H-indole
C13H15FN2 (218.12192019999998)
3-PIPERIDIN-4-YL-1,3-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-2-ONE
methyl 2,3-o-isopropylidene-alpha-l-rhamnopyranose
3-(Dimethylamino)-2-(2-fluorobenzoyl)acrylonitrile
1H-Benzimidazole-1-aceticacid,2-ethyl-alpha-methyl-(9CI)
4-(4-fluorophenyl)-1-methylpiperidine-4-carbonitrile
C13H15FN2 (218.12192019999998)
Ethanone, 1-(2,8-diazaspiro[4.5]dec-8-yl)-, hydrochloride (1:1)
C10H19ClN2O (218.11858339999998)
5-Fluoro-3-(piperidin-4-yl)-1H-indole
C13H15FN2 (218.12192019999998)
N-METHYL-N-[3-(2-METHYL-1,3-THIAZOL-4-YL)BENZYL]AMINE
N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
1,2,3,4-tetrahydro-2-methyl-1-oxo-, methyl ester 2-Naphthalenecarboxylic acid
3-amino-4-(isopropylamino)benzotrifluoride
C10H13F3N2 (218.10307740000002)
6-Fluoro-3-(piperidin-4-yl)-1H-indole
C13H15FN2 (218.12192019999998)
3-(DIMETHYLAMINO)-2-(4-FLUOROBENZOYL)ACRYLONITRILE
spiro[benzo[d][1,3]oxazine-4,4-piperidin]-2(1H)-one
1-(2-HYDROXY-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLICACID
4-(2-Fluorophenyl)-1-Methylpiperidine-4-carbonitrile
C13H15FN2 (218.12192019999998)
4-(6-METHOXY-2-METHYLPYRIDIN-3-YL)-3-METHYL-1H-PYRAZOL-5-AMINE
3-Acryloxypropyl Methyl Dimethoxysilane
C9H18O4Si (218.09743079999998)
N-((3-METHYLTHIEN-2-YL)METHYL)-N-(PYRIDIN-2-YLMETHYL)AMINE
2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-, ethyl ester
(1-(4-Methoxybenzyl)-1H-1,2,4-triazol-5-yl)methanamine
3-(2-trimethylsilylethynyl)pyridine-2-carboxamide
C11H14N2OSi (218.08753539999998)
3-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-PROPIONIC ACID
(2-FORMYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER
N-(4-fluorophenyl)-1-methylimidazole-4-carboximidamide
1-(5-FLUORO-2-PYRIDINYL)-4-OXO-CYCLOHEXANECARBONITRILE
4-(2-HYDROXYETHYL)-3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE
3-(4-Morpholinyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
(R)-4-AMINOMETHYL-THIAZOLIDINE-3-CARBOXYLICACIDTERT-BUTYLESTER
3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
TERT-BUTYL 1H-PYRROLO[2,3-C]PYRIDINE-1-CARBOXYLATE
Ethanone,1-[3-(2-aminoethyl)-5-hydroxy-1H-indol-1-yl]-
4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic Acid
1-(4-DIMETHYLAMINOPHENYL)-2,2,2-TRIFLUOROETHYLAMINE
C10H13F3N2 (218.10307740000002)
Indoximod
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent
6-(3,4-Diaminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
Thiourea,N-2,3-butadienyl-N-(4-methylphenyl)- (9CI)
Ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
2,3,4,5-TETRA-2-(PHENYLMETHYL)-3-PYRIDAZINE CARBOXYLIC ACID
2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-1-(2-HYDROXYETHYL)-3-(1-METHYLETHENYL)-
1-methoxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-acetic acid
N-[2-(2-Amino-benzoimidazol-1-yl)-ethyl]-acetamide
(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbonochloridate
piperidin-3-yl(pyrrolidin-1-yl)methanone,hydrochloride
C10H19ClN2O (218.11858339999998)
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
(E)-N-Hydroxy-2,2-dimethyl-2H-chromene-6-carboxamidine
1-Methyl-5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxyli c acid
N-Boc-3-aminobenzonitrile tert-Butyl 3-cyanophenylcarbamate
3-(DIMETHYLAMINO)-2-(3-FLUOROBENZOYL)ACRYLONITRILE
Trientine hydrochloride
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D064449 - Sequestering Agents > D002614 - Chelating Agents
3-(5,6-DIMETHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID
3-AMINO-2-(1H-INDOL-3-YL)-PROPIONIC ACID METHYL ESTER
Propanedioic acid,2-(ethoxymethyl)-, 1,3-diethyl ester
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate
4-[(E)-(3,5-Diamino-1h-Pyrazol-4-Yl)diazenyl]phenol
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
C9H16NO5- (218.10284260000003)
Rogletimide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
Glutamylalanine
C8H14N2O5 (218.09026740000002)
Glutamylalanine is a naturally occurring dipeptide. Glutamylalanine is essential in the supply of glutamate to human erythrocytes. Human erythrocytes are essentially impermeable to glutamate and yet there is a continual requirement for the amino acid for glutathione synthesis. In addition, the intracellular glutamate concentration is approximately five times that of plasma. Glutamylalanine enters the human erythrocyte through saturable membrane-transport systems describable by Michaelis- Menten kinetics. The cytosolic red cell peptidases have a vast capacity to hydrolyse the dipeptide in a process also describable by simple Michaelis-Menten kinetics. The transport process is the rate-determining step in the pathway leading to the production of intracellular glutamate from extracellular glutamylalanine. Glutamylalanine is transported by the human oligopeptide transporter, hPepT1, situated in the small intestine, which is involved in the absorption of nutrient oligopeptides and transports numerous di- and tripeptides. This active transport is being tested for use as a strategy to increase the permeability across the intestine for larger biologically active molecules with low intestinal permeability, in a therapeutic attempt to transport dipeptide-coupled active drug substances via hPepT1. (PMID: 2860897, 11557350) [HMDB]
(2S)-3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate
(2S)-2-azaniumyl-3-(2-methyl-1H-indol-3-yl)propanoate
(2S)-2-azaniumyl-3-(1H-indol-3-yl)-2-methylpropanoate
(2S)-2-azaniumyl-3-(7-methyl-1H-indol-3-yl)propanoate
2-(Methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetic acid
(2Z)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetic acid
(3-Carboxy-2-oxaldehydoyloxypropyl)-trimethylazanium
C9H16NO5+ (218.10284260000003)
3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoate
C9H16NO5- (218.10284260000003)
Ethyl 2-(3-phenyl-2-propen-1-ylidene)hydrazinecarboxylate
1-ethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
Monomethyl glutarate, TMS derivative
C9H18O4Si (218.09743079999998)
Ethyltrimethylsilyl methylmalonate
C9H18O4Si (218.09743079999998)
Methyl 2,3-O-isopropylidene-alpha-L-rhamnopyranoside (2,2,2,3,3,3-D6)
Methyl 3,4-O-isopropylidene-beta-D-fucopyranoside (3,3,3,4,4,4-D6)
5-Methyl-1-phenyl-6,8-dioxabicyclo[3.2.1]octan-3-one
(R)-pantothenate
A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.
2-Amino-5-[(1-carboxyethyl)amino]-5-oxopentanoic acid
C8H14N2O5 (218.09026740000002)
pantothenate
A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group.
1-(2-amino-3-hydroxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
C8H14N2O5 (218.09026740000002)
D-lysopine dizwitterion
A D-alpha-amino acid zwitterion that is D-lysopine arising from transfer of two protons from the carboxy to the amino groups; the major species at pH 7.3.
2-methyl-L-tryptophan zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 2-methyl-L-tryptophan; major species at pH 7.3.
N(alpha)-methyl-L-tryptophan zwitterion
An N-methyl-L-alpha-amino acid zwitterion derived from N(alpha)-methyl-L-tryptophan.
gamma-Glu-Ala
C8H14N2O5 (218.09026740000002)
A gamma-glutamylalanine obtained by formal condensation of the gamma-carboxy group of L-glutamic acid with the amino group of L-alanine.
3-(chloromethyl)-6-methoxy-7-methylocta-2,7-dien-1-ol
(2s)-2-({[(2s)-2-hydroxyoxolan-2-yl]methoxy}methyl)oxolan-2-ol
(2s)-2-amino-4-{[(1s)-1-carboxyethyl]-c-hydroxycarbonimidoyl}butanoic acid
C8H14N2O5 (218.09026740000002)
(3s,4s,5r,6r)-4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
C8H14N2O5 (218.09026740000002)
(2s)-2-amino-5-{[hydroxy(c-hydroxycarbonimidoylamino)methylidene]amino}pentanoic acid
1-(6-hydroxy-2-isopropyl-1-benzofuran-5-yl)ethanone
(3ar,8ar)-1h,2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl acetate
5-(1-hydroxyethyl)-2-(propan-2-ylidene)-1-benzofuran-3-one
5-(3,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-one
1-[(2r,3s)-3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(±)-2,3-dihydro-2-(1-methylethenyl)-5-benzofurancarboxylicacid methyl ester
{"Ingredient_id": "HBIN003981","Ingredient_name": "(±)-2,3-dihydro-2-(1-methylethenyl)-5-benzofurancarboxylicacid methyl ester","Alias": "NA","Ingredient_formula": "C13H14O3","Ingredient_Smile": "CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5675","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol
{"Ingredient_id": "HBIN005763","Ingredient_name": "2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol","Alias": "NA","Ingredient_formula": "C13H14O3","Ingredient_Smile": "CC(=C)C#CC1=C(C=CC(=C1CO)OC)O","Ingredient_weight": "218.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10513000","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran
{"Ingredient_id": "HBIN012164","Ingredient_name": "6-acetyl-5-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran","Alias": "NA","Ingredient_formula": "C13H14O3","Ingredient_Smile": "CC(=C)C1CC2=C(O1)C=C(C(=C2)O)C(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "418","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-[(2r)-4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(2s)-2-amino-3-(1-amino-3h-inden-2-yl)propanoic acid
1-[6-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
1-[(2s)-4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(4s)-4-amino-4-{[(1s)-1-carboxyethyl]-c-hydroxycarbonimidoyl}butanoic acid
C8H14N2O5 (218.09026740000002)
1-[2-(2-hydroxypropan-2-yl)-1-benzofuran-4-yl]ethanone
(1r,9r)-6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-diene-11-carbaldehyde
(2e,4e)-1-(2,4-dihydroxy-3-methylphenyl)hexa-2,4-dien-1-one
1-[2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone
1-(5-acetyl-2-hydroxyphenyl)-3-methylbut-2-en-1-one
(2r)-2-[(1e,3e)-penta-1,3-dien-1-yl]-2,3-dihydro-1-benzofuran-5,7-diol
(3s,6z)-6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
1-[(2r)-2-(hydroxymethyl)-2-methylchromen-6-yl]ethanone
2-(penta-1,3-dien-1-yl)-2,3-dihydro-1-benzofuran-5,7-diol
1-[(2s)-5-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
1-(2,4-dihydroxy-5-methylphenyl)hexa-2,4-dien-1-one
(2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-hydroxypropanoic acid
1-[(2r)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-{2-[(2r)-1-hydroxypropan-2-yl]-1-benzofuran-5-yl}ethanone
5-acetyl-2-[(2-methylprop-1-en-1-yl)oxy]benzaldehyde
1-[5-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
1-[7-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(3s,4s,5s,6r)-4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
C8H14N2O5 (218.09026740000002)
n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]ethanimidic acid
(2e,4e)-1-(2,4-dihydroxy-5-methylphenyl)hexa-2,4-dien-1-one
1-[3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1'-methyl-1,2-dihydrospiro[3,1-benzoxazine-4,3'-pyrrolidin]-2'-one
1-[(2s)-6-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(3s)-3-(but-3-en-1-yl)-7-methoxy-3h-2-benzofuran-1-one
4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
C8H14N2O5 (218.09026740000002)
6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-diene-11-carbaldehyde
1-[2-(2-methyloxiran-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(5r)-5-ethyl-4-hydroxy-1-methyl-5-phenylimidazol-2-one
methyl 2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate
2-{[(2-hydroxyoxolan-2-yl)methoxy]methyl}oxolan-2-ol
1-[(2s)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-(2,4-dihydroxy-3-methylphenyl)hexa-2,4-dien-1-one
3-(hydroxymethyl)-4-methoxy-2-(3-methylbut-3-en-1-yn-1-yl)phenol
(1s,9r)-6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-diene-11-carbaldehyde
1-[(2s)-2-(hydroxymethyl)-2-methylchromen-6-yl]ethanone
(2e)-4-(5-acetyl-2-hydroxyphenyl)-2-methylbut-2-enal
(3s,4s,5r,6s)-4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
C8H14N2O5 (218.09026740000002)
2-amino-5-{[hydroxy(c-hydroxycarbonimidoylamino)methylidene]amino}pentanoic acid
1-[4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
2-(hydroxymethyl)-4-methoxy-3-(3-methylbut-3-en-1-yn-1-yl)phenol
methyl (2s)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate
(2z,6s)-3-(chloromethyl)-6-methoxy-7-methylocta-2,7-dien-1-ol
(3s,6s)-3-benzyl-6-methyl-3,6-dihydropyrazine-2,5-diol
(5r)-5-(3,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-one
5-[(1s)-1-hydroxyethyl]-2-(propan-2-ylidene)-1-benzofuran-3-one
(4s)-1'-methyl-1,2-dihydrospiro[3,1-benzoxazine-4,3'-pyrrolidin]-2'-one
(3s,4r,5s,6r)-4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
C8H14N2O5 (218.09026740000002)