Exact Mass: 277.1497978
Exact Mass Matches: 277.1497978
Found 500 metabolites which its exact mass value is equals to given mass value 277.1497978
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Amitriptyline
Amitriptyline hydrochloride is a dibenzocycloheptene-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, amitriptyline does not affect mood or arousal, but may cause sedation. In depressed individuals, amitriptyline exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as amitriptyline, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline. TCAs also down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H1 receptors, α1-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Amitriptyline may be used to treat depression, chronic pain (unlabeled use), irritable bowel syndrome (unlabeled use), diabetic neuropathy (unlabeled use), post-traumatic stress disorder (unlabeled use), and for migraine prophylaxis (unlabeled use). N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine, also known as EDDP, is a major inactive metabolite of the opioid methadone. Methadone is an opioid drug that is often used to treat addiction to other opioids, such as heroin, oxycodone or fentanyl. Methadone is metabolised in the liver and small intestine where it is converted to EDDP through N-demethylation and cyclization by CYP3A4 (PMID: 15501692, 27320437). EDDP and methadone are eliminated through the kidneys. As such it is common to monitor the urine of patients in a clinical and forensic settings. EDDP is formed through N-desmethylmethadone reacting with itself and cyclizing through condensation of the secondary amine with the carbonyl group (PMID: 27320437). EDDP belongs to the family of compounds known as Diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. EDDP is only found in individuals who have taken or been given methadone. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2825
Maprotiline
Maprotiline is a tetracyclic antidepressant with similar pharmacological properties to tricyclic antidepressants (TCAs). Similar to TCAs, maprotiline inhibits neuronal norepinephrine reuptake, possesses some anticholinergic activity, and does not affect monoamine oxidase activity. It differs from TCAs in that it does not appear to block serotonin reuptake. Maprotiline may be used to treat depressive affective disorders, including dysthymic disorder (depressive neurosis) and major depressive disorder. Maprotiline is effective at reducing symptoms of anxiety associated with depression. CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8225; ORIGINAL_PRECURSOR_SCAN_NO 8223 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8170; ORIGINAL_PRECURSOR_SCAN_NO 8168 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8212; ORIGINAL_PRECURSOR_SCAN_NO 8209 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8187; ORIGINAL_PRECURSOR_SCAN_NO 8185 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8233; ORIGINAL_PRECURSOR_SCAN_NO 8231 CONFIDENCE standard compound; INTERNAL_ID 835; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8247; ORIGINAL_PRECURSOR_SCAN_NO 8245 N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3317 CONFIDENCE standard compound; INTERNAL_ID 2221 D049990 - Membrane Transport Modulators
Queuine
Queuine is a highly modified derivative of guanine found in the first position of the anticodon of the transfer RNAs for asp, asn, his and tyr. The original transcripts of these tRNAs contain guanine in this position. All organisms with the exception of yeast and mycoplasma contain queuine. Bacteria synthesize queuine but it cannot be synthesized by higher mammals. Significant amounts of free queuine are present in common plant and animal food products. (PMID 9016755) [HMDB] Queuine is a highly modified derivative of guanine found in the first position of the anticodon of the transfer RNAs for asp, asn, his and tyr. The original transcripts of these tRNAs contain guanine in this position. All organisms with the exception of yeast and mycoplasma contain queuine. Bacteria synthesize queuine but it cannot be synthesized by higher mammals. Significant amounts of free queuine are present in common plant and animal food products. (PMID 9016755).
S-(2-Methylpropionyl)-dihydrolipoamide-E
S-(2-Methylpropionyl)-dihydrolipoamide-E is an intermediate in valine, leucine and isoleucine degradation(KEGG ID C15977). It is the second to last step in the synthesis of branched chain fatty acid and is converted from 2-methyl-1-hydroxypropyl-ThPP via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]. It is then converted to isobutyryl-CoA via the enzyme dihydrolipoyllysine-residue (2-methylpropanoyl)transferase [EC:2.3.1.168]. [HMDB] S-(2-Methylpropionyl)-dihydrolipoamide-E is an intermediate in valine, leucine and isoleucine degradation(KEGG ID C15977). It is the second to last step in the synthesis of branched chain fatty acid and is converted from 2-methyl-1-hydroxypropyl-ThPP via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]. It is then converted to isobutyryl-CoA via the enzyme dihydrolipoyllysine-residue (2-methylpropanoyl)transferase [EC:2.3.1.168].
N-Acetylprocainamide
N-Acetylprocainamide (NAPA or acecainide) is the N-acetylated metabolite of procainamide. It is a Class III antiarrhythmic agent, whereas procainamide is a Class Ia antiarrhythmic drug. It is only partially as active as procainamide; when checking levels both must be included in the final calculation. C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker
Dehydroaporheine
Dehydroaporheine is found in coffee and coffee products. Dehydroaporheine is an alkaloid from Nelumbo nucifera (East India lotus) and Papaver rhoeas (corn poppy). Alkaloid from Nelumbo nucifera (East India lotus) and Papaver rhoeas (corn poppy). Dehydroaporheine is found in coffee and coffee products and root vegetables.
Dinorcapsaicin
Constituent of red pepper (Capsicum annuum). Dinorcapsaicin is found in many foods, some of which are italian sweet red pepper, red bell pepper, green bell pepper, and orange bell pepper. Dinorcapsaicin is found in herbs and spices. Dinorcapsaicin is a constituent of red pepper (Capsicum annuum)
Murrayacine
Murrayacine is found in herbs and spices. Murrayacine is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Murrayacine is found in herbs and spices.
Lysylmethionine
Lysylmethionine is a dipeptide composed of lysine and methionine. 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.
Methionyl-Lysine
Methionyl-Lysine is a dipeptide composed of methionine and lysine. 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.
Entecavir
Entecavir is an oral antiviral drug used in the treatment of hepatitis B infection. It is marketed under the trade name Baraclude (BMS). Entecavir is a guanine analogue that inhibits all three steps in the viral replication process, and the manufacturer claims that it is more efficacious than previous agents used to treat hepatitis B (lamivudine and adefovir). It was approved by the U.S. Food and Drug Administration (FDA) in March 2005. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Arginylcysteine
Arginylcysteine is a dipeptide composed of arginine and cysteine. 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.
Cysteinyl-Arginine
Cysteinyl-Arginine is a dipeptide composed of cysteine and arginine. 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.
N-(1-Deoxy-1-fructosyl)proline
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)proline is classified as a Natural Food Constituent (code WA) in the DFC.
3'-Deaminofusarochromanone
3-Deaminofusarochromanone is produced by Fusarium equiseti. Production by Fusarium equiseti
N-Desmethylterbinafine
N-Desmethylterbinafine is a metabolite of terbinafine. Terbinafine hydrochloride is a synthetic allylamine antifungal from Novartis. It is highly lipophilic in nature and tends to accumulate in skin, nails, and fatty tissues. (Wikipedia)
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-
N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine
1H-Indole-4,6-dicarboximidamide, 2-phenyl-
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
carboxy-ptio
2-Methyl-8-(phenylmethoxy)imidazo[1,2-a]pyridine-3-acetonitrile
(2R,3S,5R)-5-(4,5-Dihydroimidazo[2,1-f]purin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
Arginyl-Cysteine
(7xi,8xi,9xi)-13,14,15,16-Tetrahydro-14-hydroxyeleocarpine
3alpha-Phenylacetoxy-6beta,7beta-dihydroxynortropane
N-(4-Cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N,N-dimethyliminoformamide
1-(4-Fluorophenyl)-2-(pyrrolidine-1-yl)heptane-1-one
N2-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
Litracen
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent [Raw Data] CB199_Litracen_pos_50eV_CB000071.txt [Raw Data] CB199_Litracen_pos_40eV_CB000071.txt [Raw Data] CB199_Litracen_pos_30eV_CB000071.txt [Raw Data] CB199_Litracen_pos_20eV_CB000071.txt [Raw Data] CB199_Litracen_pos_10eV_CB000071.txt
MEX_278.1387_17.3
CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1); INTERNAL_ID 908 INTERNAL_ID 908; CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1)
(2E,4E)-N-phenethylundeca-2,4-dien-8,10-diynamide|2-Phenylethylamide-(2E,4E)-2,4-Undecadiene-8,10-diynoic acid
2-methoxy-4,5-methylenedioxy-trans-cinnamoylisobutylamide
5-acetamido-2,7-anhydro-3,5-dideoxy-alpha-D-glycero-D-galacto-nonulopyranose
6beta-benzoyloxytropan-3alpha,7beta-diol|6beta-Benzoyloxytropane-3alpha,7beta-diol
lycojapodine A
An alkaloid isolated from the club moss Lycopodium japonicum and has been shown to exhibit acetylcholinesterase inhibitory and anti-HIV-1 activity.
4-(5-amino-6-benzylpyrazin-2-yl)phenol
(+/-)-4-(2,3-Dihydroxy-3-methylbutoxy)-1-methyl-1H-quinolin-2-one|4-(2,3-Dihydroxy-3-methylbutoxy)-1-methyl-2(1H)-quinolinone|4-(2,3-dihydroxy-3-methylbutoxy)-1-methylquinolin-2(1H)-one
N-(2-Phenylethyl)-3,5-undecadiene-8,10-diynamide|undeca-3E,5E-dien-8,10-diynoic acid 2-phenylethylamide
1-(1,1-Dimethyl-2,3-dihydroxypropyl)-1H-indole-3-carboxylic acid methyl ester
3-hydroxyheteroendrin|Nitrile,2-O-beta-D-glucopyranoside-(R)-2,3-Dihydroxy-3-methylbutanoic acid
8-methyl-pyridoxatin|8-methylpyridoxatin|cordypyridone A|cordypyridone B
1-oxo-8alpha-methoxy-10alphaH-eremophil-7(11)-en-8beta,12-lactam
amitriptyline
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8144; ORIGINAL_PRECURSOR_SCAN_NO 8142 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8187; ORIGINAL_PRECURSOR_SCAN_NO 8185 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8212; ORIGINAL_PRECURSOR_SCAN_NO 8209 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8233; ORIGINAL_PRECURSOR_SCAN_NO 8231 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8247; ORIGINAL_PRECURSOR_SCAN_NO 8245 CONFIDENCE standard compound; INTERNAL_ID 943; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8225; ORIGINAL_PRECURSOR_SCAN_NO 8223 CONFIDENCE standard compound; INTERNAL_ID 1504 CONFIDENCE standard compound; INTERNAL_ID 8592 [Raw Data] CB205_Amitriptyline_pos_50eV_CB000074.txt [Raw Data] CB205_Amitriptyline_pos_40eV_CB000074.txt [Raw Data] CB205_Amitriptyline_pos_30eV_CB000074.txt [Raw Data] CB205_Amitriptyline_pos_20eV_CB000074.txt [Raw Data] CB205_Amitriptyline_pos_10eV_CB000074.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 2821
EDDP
CONFIDENCE standard compound; INTERNAL_ID 1615
C15H19NO4_2-Pentenamide, 2-methyl-5-[(1R,3S,6R,9S)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl]-4-oxo-, (2E)
maprotiline
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 2221
Methyltriphenylphosphonium
CONFIDENCE standard compound; INTERNAL_ID 2495
(5S,1R)-8-azabicyclo(3.2.1)oct-3-yl 4-hydroxy-3-methoxybenzoate
Origin: Plant; Formula(Parent): C15H19NO4; Bottle Name:Convolidine; PRIME Parent Name:Convolidine; PRIME in-house No.:V0341; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
Etocrilene
C1892 - Chemopreventive Agent > C851 - Sunscreen CONFIDENCE standard compound; INTERNAL_ID 732; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9264; ORIGINAL_PRECURSOR_SCAN_NO 9261 CONFIDENCE standard compound; INTERNAL_ID 732; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9311; ORIGINAL_PRECURSOR_SCAN_NO 9309 CONFIDENCE standard compound; INTERNAL_ID 732; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9325; ORIGINAL_PRECURSOR_SCAN_NO 9323 CONFIDENCE standard compound; INTERNAL_ID 732; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9368; ORIGINAL_PRECURSOR_SCAN_NO 9366 CONFIDENCE standard compound; INTERNAL_ID 732; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9368; ORIGINAL_PRECURSOR_SCAN_NO 9367 CONFIDENCE standard compound; INTERNAL_ID 732; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9377; ORIGINAL_PRECURSOR_SCAN_NO 9375
S-(2-Methylpropionyl)-dihydrolipoamide-E
Entecavir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Lys-met
A dipeptide formed from L-lysine and L-methionine residues.
Met-lys
A dipeptide formed from L-methionine and L-lysine residues.
Dehydroremerine
3'-Deaminofusarochromanone
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
C14H20BNO4 (277.14853100000005)
N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
2-CBZ-AMINO-4-METHYLPENT-2-ENOIC ACID METHYL ESTER
1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea
TERT-BUTYL 4-(5-AMINOPYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE
4-Quinolinecarboxylicacid, 3-methyl-2-phenyl-, methyl ester
(7-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)b oronic acid
(6-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)b oronic acid
(5-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)b oronic acid
1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid
Methyl (1S,2R,3S,4R)-3-[(4-fluorobenzyl)amino]bicyclo[2.2.1]hepta ne-2-carboxylate
6-METHYL-2-(2-METHYLPHENYL)QUINOLINE-4-CARBOXYLICACID
6-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid
8-METHYL-2-(2-METHYLPHENYL)QUINOLINE-4-CARBOXYLICACID
8-Methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid
8-METHYL-2-(4-METHYLPHENYL)QUINOLINE-4-CARBOXYLICACID
(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl 2,2-dimethylpropanoate
(R)-3,4-DIHYDRO-2H-QUINOLINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine
(R)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
C14H20BNO4 (277.14853100000005)
2-[(1R)-1-[[(1R)-1-phenylethyl]amino]ethyl]phenol,hydrochloride
4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester
N-(2-methyl-5-phenylpyrrol-1-yl)pyridine-4-carboxamide
CIS-DIMETHYL 1-BENZYLPYRROLIDINE-3,4-DICARBOXYLATE
BENZYL-[1-(4-METHOXYPHENYL)ETHYL]AMINEHYDROCHLORIDE
(3R,4S)-4-Phenyl-3-[(Triethylsilyl)Oxy]-2-Azetidinone
N-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID
methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C14H20BNO4 (277.14853100000005)
ETHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISONICOTINATE
C14H20BNO4 (277.14853100000005)
(5S)-N-(tert-Butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(h)-1,4-oxazin-2-one
trans-4-(carbobenzoxyamino)cyclohexanecarboxylic acid
2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
2-Boc-1,2,3,4-Tetrahydroisoquinoline-5-Carboxylic Acid
(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
1-(2-chloro-1-adamantyl)-N-methylpropan-2-amine,hydrochloride
C14H25Cl2N (277.13639500000005)
tert-Butyl 4-((pyridin-2-yl)methyl)piperazine-1-carboxylate
2,3-dihydro-1h-indole-3-carboxylic acid methyl ester
benzyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
1-[(benzyloxy)carbonyl]-3-methylpiperidine-3-carboxylic acid
(1s,2r)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid
3-{[(Benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid
(1R,3S)-3-(Carbobenzoxyamino)cyclohexanecarboxylic Acid
(1r,2r)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid
tert-butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate
tert-butyl 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate
(4s)-4-[(1r)-2-azido-1-(benzyloxy)ethyl]-2,2-dimethyl-1,3-dioxolane
methyl 4-(tert-butylcarbonylamino)cubanecarboxylate
3-(2,5-dimethylpyrrolidin-1-yl)propyl 2-hydroxybenzoate
2-(o-tolylaminomethylene)malonic acid diethyl ester
2-METHYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER
N-[6-(2,2-Dimethyl-propionylamino)-pyridin-2-yl]-2,2-dimethyl-propionamide
tert-butyl 4-(3-aminophenyl)piperazine-1-carboxylate
TERT-BUTYL 4-(AZETIDIN-3-YL)PIPERAZINE-1-CARBOXYLATE HYDROCHLORIDE
C12H24ClN3O2 (277.15569539999996)
2-Boc-1,2,3,4-Tetrahydroisoquinoline-8-Carboxylic Acid
4-(acetyloxy)-1-benzylpiperidine-4-carboxylic acid
1H-Benz[g]indole-3-carboxaldehyde,2-cyclohexyl-(9CI)
4-Fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
3-(4-TERT-BUTOXYPHENYL)-2-ISOCYANATOPROPIONICACIDMETHYLESTER
(S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate
Ethyl 3-((dimethylamino)methyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
(5r)-n-(tert-butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(h)-1,4-oxazin-2-one
tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate
1H-Indene-1,3(2H)-dione,2-[[4-(dimethylamino)phenyl]methylene]-
3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid(SALTDATA: FREE)
1-Boc-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
C14H20BNO4 (277.14853100000005)
(S)-1-BOC-3,4-DIHYDRO-2H-QUINOLINE-2-CARBOXYLIC ACID
1,2(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester
(1S,2S)-1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-phenylcyc lopropanecarboxylic acid
ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
5-(Ethoxycarbonyl)pyridine-3-boronic acid pinacol ester
C14H20BNO4 (277.14853100000005)
Spiro[2H-1-benzopyran-2,2-[2H]indole],1,3-dihydro-1,3,3-trimethyl-
5-Fluoro-4-[2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-y l]-2-pyrimidinamine
Methyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
C14H20BNO4 (277.14853100000005)
6-METHYL-N-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethanol
prop-2-enamide,trimethyl-[3-(prop-2-enoylamino)propyl]azanium,chloride
C12H24ClN3O2 (277.15569539999996)
2-(p-tolylaminomethylene)malonic acid diethyl ester
tert-butyl 1-(5-aminopyridin-2-yl)piperidine-4-carboxylate
4-benzyl-2-methyl-5-oxomorpholine-3-carboxylic acid ethyl ester
(2S,3R)-2-Methyl-5-oxo-4-(phenylmethyl)-3-Morpholinecarboxylic acid ethyl ester
(2R,3S)-2-Methyl-5-oxo-4-(phenylmethyl)-3-Morpholinecarboxylic acid ethyl ester
Methyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
C14H20BNO4 (277.14853100000005)
2-Amino-9-[(1S,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one
3-(3-hydroxypropyl)-7,8-dimethoxy-1,3-dihydro-2H-benzo[d]azepin-2-one
2-amino-9-((1S,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one
2-[Hydroxy(polyethyleneoxy)propyl]heptamethyltrisiloxane
2-(tert-butoxycarbonylamino)-2,3-dihydro-1H-indene-2-carboxylic acid
4-HYDRAZINOCARBONYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
(3R,4S)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid
2-methyl-propane-2-sulfinic acid [2-(tert-butyl-dimethyl-silanyloxy)-ethylidene]-amide
(1S,2S)-4-benzyl-2-(ethoxycarbonyl)cyclopentane-1-carboxylic aci
2-tert-butoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-ethyl-2-methoxy-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
N,N-diethyl-3-phenyl-1-trimethylsilyloxyprop-1-en-1-amine
C16H27NOSi (277.18618119999996)
3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide
4-(4-ACETYL-1-PIPERAZINYL)-3-AMINO-BENZOIC ACID METHYL ESTER
2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
4-Amino-3-methoxycarbonylphenylboronic acid pinacol ester
C14H20BNO4 (277.14853100000005)
3-(2-methylphenoxy)-3-phenylpropan-1-amine,hydrochloride
N-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
C14H20BNO4 (277.14853100000005)
(4-(1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPROPYL)PHENYL)BORONIC ACID
C14H20BNO4 (277.14853100000005)
3-METHYL-1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-INDAZOL-6-AMINE
(1S,2R)-1-(TERT-BUTOXYCARBONYLAMINO)-2-PHENYLCYCLOPROPANECARBOXYLIC ACID
1-(Benzyloxycarbonyl)-6-Methylpiperidine-3-Carboxylic Acid
4,6-Diamidino-2-phenylindole
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
2-Methyl-8-(phenylmethoxy)imidazo[1,2-a]pyridine-3-acetonitrile
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors
(E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
Elliptinium
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D004611 - Ellipticines C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents
1-(Phenylmethyl)spiro[1,2-dihydroindene-3,4-piperidine]
5-Piperidinopyrazolo[1,5-a]quinazoline-3-carbonitrile
2-[3-(4-Methylphenyl)acryloyl]-1,2,3,4-tetrahydroisoquinoline
Triphenylmethylphosphonium
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
trans-Dimethyl 1-benzylpyrrolidine-3,4-dicarboxylate
(2E)-4-((1-(2,6-Dimethylphenoxy)-2-propanyl)amino)-4-oxo-2-butenoic acid
(Z)-2-[2-(4-Methylpiperazin-1-Yl)benzyl]diazenecarbothioamide
2-(2,6-Diaminohexanoylamino)-4-methylsulfanylbutanoic acid
2-Amino-5-[[[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino]methyl]-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one Dihydrochloride
S-(8-amino-8-oxo-1-sulfanyloctan-3-yl) 2-methylpropanethioate
(2R)-2-amino-3-(4-hydroxy-1-oxononan-3-yl)sulfanylpropanoic acid
2-Amino-5-((((1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-1,7-dihydro-4H-pyrrolo(2,3-D)pyrimidin-4-one
(2R,3S,5R)-5-(4,5-Dihydroimidazo[2,1-f]purin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
(6R,6As,8R,10S,10aR)-2-hydroxy-6,6a,8,10-tetramethyl-6,7,8,9,10,10a-hexahydroisochromeno[4,3-c]pyridin-1-one
Thr-Ala-Ser
A tripeptide composed of L-threonine, L-alanine, and L-serine joined by peptide linkages.
3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methyl-N-(2H3)methyl-1-propanamine
1-Isobutylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
methyl 1-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]indole-3-carboxylate
N(2)-[(R)-2-amino-2-phenylacetyl]-N-butyl-L-alaninamide
(3R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyhexanoate
(3R,5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyhexanoate
5-{[(2-Amino-6-isopropylpyrimidin-4-YL)amino]methyl}-1,2,4-oxadiazole-3-carboxamide
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3-methoxybenzoate
(1R)-2-(2-Tetrahydropyranyloxy)-1-propionylaminoethylbenzene
Acecainide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker
carboxy-ptio
A mmeber of the class of imidazolines and organic radical that is 4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3lambda(5)-imidazol-1-yl]oxidanyl substituted at position 2 by a 4-carboxyphenyl group.
Pyrrolidine, 1,5-dimethyl-3,3-diphenyl-2-ethylidene-
16-methyl-5-oxa-7-azatetracyclo[5.4.3.3²,⁶.0¹,⁶]heptadecane-4,11-dione
(2e)-2-methyl-5-[(1s,3r,6s,9r)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0³,⁹]nonan-9-yl]-4-oxopent-2-enimidic acid
(4s,6r,12s)-12-hydroxy-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione
3-hydroxy-6-(1h-indol-3-yloxy)-4-methylhexanoic acid
(2s)-2-(hydroxymethyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
4-[6,7-dihydroxy-5-(hydroxymethyl)-hexahydro-1h-pyrrolizin-3-yl]butane-1,2,4-triol
4-[(2s)-2,3-dihydroxy-3-methylbutoxy]-1-methylquinolin-2-one
(4s,5r)-5-[(1z,3s)-3-hydroxybut-1-en-1-yl]-4-{[4-(hydroxymethyl)phenyl]amino}oxolan-2-one
(1r,6r)-1-hydroxy-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-4(13)-ene-2,8-dione
3-hydroxy-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
(1r,9s,11s,13s,14r)-4-hydroxy-9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.0²,⁷]tetradeca-2(7),5-dien-3-one
6-{[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-4-methoxy-5-methyl-3h-isoindol-1-ol
4-hydroxy-9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.0²,⁷]tetradeca-2(7),5-dien-3-one
(2s)-2-{[(2s)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1-hydroxypropylidene]amino}-3-hydroxypropanoic acid
6-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]-4-methoxy-5-methyl-3h-isoindol-1-ol
8β-hydroxy phlegmariurine b
{"Ingredient_id": "HBIN013673","Ingredient_name": "8\u03b2-hydroxy phlegmariurine b","Alias": "NA","Ingredient_formula": "C16H23NO3","Ingredient_Smile": "CC1CC(=O)N2CCCC3=C(CCC2)C(=O)CC3C1O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10643","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}