Exact Mass: 246.1078
Exact Mass Matches: 246.1078
Found 193 metabolites which its exact mass value is equals to given mass value 246.1078,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Elliptisine
Ellipticine is a organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. It has a role as an antineoplastic agent and a plant metabolite. It is an organic heterotetracyclic compound, an organonitrogen heterocyclic compound, a polycyclic heteroarene and an indole alkaloid. Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities. Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities.
N-Acetyltryptophan
N-Acetyl-L-tryptophan or N-Acetyltryptophan, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetyltryptophan can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetyltryptophan is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-tryptophan. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\\\% of all human proteins and 68\\\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetyltryptophan can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free tryptophan can also occur. Many N-acetylamino acids, including N-acetyltryptophan are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-Acetyltryptophan has also been used as a protein stabilizer. It prevents protein molecules from oxidative degradation by scavenging oxygen dissolved in protein solutions (PMID: 21903216 ). N-Acetyltryptophan has been identified as a catabolite of tryptophan generated by the gut microbiota. After absorption through the intestinal epithelium, tryptophan catabolites enter the bloodstream and are later excreted in the urine (PMID: 28916042). N-Acetyltryptophan is an inhibitor of cytochrome c release and an antagonist of the neurokinin 1 receptor (NK-1R). These inhibitory effects are thought have a useful role in neuroprotection. For instance, in mouse models of amyotrophic lateral sclerosis (ALS) the administration of N-Acetyltryptophan has been shown delay disease onset, extend survival, and ameliorate deterioration in motor performance ALS transgenic mice (PMID: 25986728). N-acetyltryptophan has been shown to significantly reduce blood-brain barrier permeability and improve functional outcome in rat models of traumatic brain injury (PMID: 29256408). N-Acetyltryptophan has also been shown to have a role in preventing hepatic ischemia-reperfusion injury. This is thought to occur through de-activation of the RIP2/caspase/IL-1beta signaling pathway (PMID: 31184936). D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Ac-DL-Trp-OH is an endogenous metabolite. Ac-DL-Trp-OH is an endogenous metabolite. N-Acetyl-L-tryptophan is an endogenous metabolite.
Methylphenobarbital
Methylphenobarbital is only found in individuals that have used or taken this drug. It is a barbiturate that is metabolized to phenobarbital. It has been used for similar purposes, especially in epilepsy, but there is no evidence mephobarbital offers any advantage over phenobarbital. [PubChem]Methylphenobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives 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 D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Ellipticine
Ellipticine is a organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. It has a role as an antineoplastic agent and a plant metabolite. It is an organic heterotetracyclic compound, an organonitrogen heterocyclic compound, a polycyclic heteroarene and an indole alkaloid. Ellipticine is a potent antineoplastic agent. Ellipticine is a natural product found in Asparagus cochinchinensis, Aspergillus sclerotiorum, and other organisms with data available. A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. Ellipticine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=519-23-3 (retrieved 2024-06-29) (CAS RN: 519-23-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities. Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities.
Nigellicine
Nigellicine is found in herbs and spices. Nigellicine is an alkaloid from the seeds of Nigella sativa (black cumin
Prolyl-Methionine
Prolyl-Methionine is a dipeptide composed of proline and methionine. 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.
Methionyl-Proline
Methionyl-Proline is a dipeptide composed of methionine and proline. 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.
cyclic 6-Hydroxymelatonin
cyclic 6-Hydroxymelatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
3,3'-Diindolylmethane
C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist. 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist.
2-(1H-Indol-2-ylmethyl)-1H-indole
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate
3,3-Diindolylmethane
C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist. 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist.
methyl 1-hydroxy-2,6-dimethoxy-4-oxocyclohexanacetate
(-)-(1R,3S)-7-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid|brunnein B
Caerulomycin G
A pyridine alkaloid that is 2,2-bipyridine substituted at position 6 by a hydroxymethyl group and at positions 3 and 4 by methoxy groups respectively. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
2-(1H-indol-2-ylmethyl)-1H-indole
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
9-mercaptodethiobiotin
A member of the class of imidazolidinones that is dethiobiotin carrying a mercapto substituent at position 9. An intermediate in the biosynthesis of biotin.
3,3\\%27-Diindolylmethane
3,3-diindolylmethane is a member of indoles. It has a role as an antineoplastic agent and a P450 inhibitor. Diindolylmethane has been used in trials studying the prevention and treatment of SLE, Prostate Cancer, Cervical Dysplasia, Stage I Prostate Cancer, and Stage II Prostate Cancer, among others. 3,3-Diindolylmethane is a natural product found in Arundo donax, Brassica, and other organisms with data available. Diindolylmethane is a phytonutrient and plant indole found in cruciferous vegetables including broccoli, Brussels sprouts, cabbage, cauliflower and kale, with potential anti-androgenic and antineoplastic activities. As a dimer of indole-3-carbinol, diindolylmethane (DIM) promotes beneficial estrogen metabolism in both sexes by reducing the levels of 16-hydroxy estrogen metabolites and increasing the formation of 2-hydroxy estrogen metabolites, resulting in increased antioxidant activity. Although this agent induces apoptosis in tumor cells in vitro, the exact mechanism by which DIM exhibits its antineoplastic activity in vivo is unknown. C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist. 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist.
2-acetamido-3-(1H-indol-3-yl)propanoic acid
PRI_247.1079_16.2
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1602 INTERNAL_ID 1602; CONFIDENCE Tentative identification: most likely structure (Level 3)
N-Acetyltryptophan
An N-acetylamino acid that is the N-acetyl derivative of tryptophan. Ac-DL-Trp-OH is an endogenous metabolite. Ac-DL-Trp-OH is an endogenous metabolite. N-Acetyl-L-tryptophan is an endogenous metabolite.
N-Acetyl-D-tryptophan
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
N-Acetyl-DL-tryptophan
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Ac-DL-Trp-OH is an endogenous metabolite. Ac-DL-Trp-OH is an endogenous metabolite.
Ac-Try
N-Acetyl-L-tryptophan is an endogenous metabolite.
Met-pro
A dipeptide formed from L-methionine and L-proline residues.
Nigellicine
4-benzyloxycarbonyl-1-methyl-3,4-dihydropyrazin-2(1H)-one
tert-butyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
tert-Butyl 3-formyl-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
1,1,2-Ethanetricarboxylic Acid, 2-(1,1-Dimethylethyl)1,1-Dimethyl Ester
METHYL 3-METHOXY-4-(4-METHYL-1-IMIDAZOLYL)BENZOATE
6-METHOXY-1 2 3 4-TETRAHYDRO-9H-PYRIDO-&
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
4-o-acetyl-2,5-anhydro-1,3-isopropylidene-d-glucitol
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c][1,2,5]oxadiazole
3-(4-METHOXYPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1-(1-Borono-1-phenylmethyl)-1H-pyrazole-4-boronic acid
(4R)-N-ACETYL)-4-BENZYL-2-OXAZOLIDINONE,99
ETHYL 3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-4-CARBOXYLATE
5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylic acid
1-(4-METHOXY-PHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID HYDRAZIDE
1H-INDAZOLE-1-CARBOXYLIC ACID,6-FORMYL-,1,1-DIMETHYLETHYL ESTER
6-amino-5-(benzylamino)-1-methylpyrimidine-2,4-dione
6-Carboxy-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole, 2-(6-Carboxy-1H-indazol-1-yl)tetrahydro-2H-pyran
N-ETHOXYCARBONYLMETHYL-6-METHOXYQUINOLINIUM BROMIDE
1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-INDAZOLE-5-CARBOXYLIC ACID
1-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
Methyl 4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)benzoate
1H-1,2,3-Triazole-4-carboxylicacid, 5-amino-1-(phenylmethyl)-, ethyl ester
1-(piperidine-4-carbonyl)piperidin-4-one hydrochloride
4-Carboxy-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole, 2-(4-Carboxy-1H-indazol-1-yl)tetrahydro-2H-pyran
3-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-propionic acid
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine(SALTDATA: FREE)
Antineoplaston A10
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer Antineoplaston A10, a naturally occurring substance in human body, is a Ras inhibitor potentially for the treatment of glioma, lymphoma, astrocytoma and breast cancer[1]. Antineoplaston A10, a naturally occurring substance in human body, is a Ras inhibitor potentially for the treatment of glioma, lymphoma, astrocytoma and breast cancer[1].
Ethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
4-Hydroxy-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester
Ethyl 6,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6-methyl-4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-propanoic acid, 4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 9-methyl-4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 7-methyl-4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 8-methyl-4-oxo-, ethyl ester
Elliptisine
D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D004611 - Ellipticines D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities. Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities.
6-[2-Oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
1-[5-Amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-propanone
1-(3,4-Dihydroxyphenyl)-2-(2-ethyl-1-imidazolyl)ethanone
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
Mephobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives 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 D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Acetyl-L-tryptophan
A N-acetyl-L-amino acid that is the N-acetyl derivative of L-tryptophan. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors N-Acetyl-L-tryptophan is an endogenous metabolite.
N-(indole-3-acetyl)-L-alanine
An N-acyl-L-amino acid that is the N-indole-3-acetyl derivative of L-alanine.
