Exact Mass: 307.1121
Exact Mass Matches: 307.1121
Found 500 metabolites which its exact mass value is equals to given mass value 307.1121,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Narciclasine
Narciclasine is a member of phenanthridines. It has a role as a metabolite. Narciclasine is a natural product found in Lycoris sanguinea, Lycoris squamigera, and other organisms with data available. A natural product found in Narcissus pseudonarcissus. Narciclasine is a plant growth modulator. Narciclasine modulates the Rho/Rho kinase/LIM kinase/cofilin signaling pathway, greatly increasing GTPase RhoA activity as well as inducing actin stress fiber formation in a RhoA-dependent manner.
Tebuconazole
DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9770; ORIGINAL_PRECURSOR_SCAN_NO 9769 ORIGINAL_PRECURSOR_SCAN_NO 9696; CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9701 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9787; ORIGINAL_PRECURSOR_SCAN_NO 9786 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9701; ORIGINAL_PRECURSOR_SCAN_NO 9696 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9770; ORIGINAL_PRECURSOR_SCAN_NO 9769 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9788; ORIGINAL_PRECURSOR_SCAN_NO 9786 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9738; ORIGINAL_PRECURSOR_SCAN_NO 9737 CONFIDENCE standard compound; INTERNAL_ID 1190; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9819; ORIGINAL_PRECURSOR_SCAN_NO 9818 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1014 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2500 CONFIDENCE standard compound; INTERNAL_ID 4043 CONFIDENCE standard compound; INTERNAL_ID 2578 CONFIDENCE standard compound; INTERNAL_ID 8423 D016573 - Agrochemicals D010575 - Pesticides
Glutathione
Glutathione is a compound synthesized from cysteine, perhaps the most important member of the bodys toxic waste disposal team. Like cysteine, glutathione contains the crucial thiol (-SH) group that makes it an effective antioxidant. There are virtually no living organisms on this planet-animal or plant whose cells dont contain some glutathione. Scientists have speculated that glutathione was essential to the very development of life on earth. glutathione has many roles; in none does it act alone. It is a coenzyme in various enzymatic reactions. The most important of these are redox reactions, in which the thiol grouping on the cysteine portion of cell membranes protects against peroxidation; and conjugation reactions, in which glutathione (especially in the liver) binds with toxic chemicals in order to detoxify them. glutathione is also important in red and white blood cell formation and throughout the immune system. glutathiones clinical uses include the prevention of oxygen toxicity in hyperbaric oxygen therapy, treatment of lead and other heavy metal poisoning, lowering of the toxicity of chemotherapy and radiation in cancer treatments, and reversal of cataracts. (http://www.dcnutrition.com/AminoAcids/) glutathione participates in leukotriene synthesis and is a cofactor for the enzyme glutathione peroxidase. It is also important as a hydrophilic molecule that is added to lipophilic toxins and waste in the liver during biotransformation before they can become part of the bile. glutathione is also needed for the detoxification of methylglyoxal, a toxin produced as a by-product of metabolism. This detoxification reaction is carried out by the glyoxalase system. Glyoxalase I (EC 4.4.1.5) catalyzes the conversion of methylglyoxal and reduced glutathione to S-D-Lactoyl-glutathione. Glyoxalase II (EC 3.1.2.6) catalyzes the hydrolysis of S-D-Lactoyl-glutathione to glutathione and D-lactate. GSH is known as a substrate in both conjugation reactions and reduction reactions, catalyzed by glutathione S-transferase enzymes in cytosol, microsomes, and mitochondria. However, it is also capable of participating in non-enzymatic conjugation with some chemicals, as in the case of n-acetyl-p-benzoquinone imine (NAPQI), the reactive cytochrome P450-reactive metabolite formed by acetaminophen, that becomes toxic when GSH is depleted by an overdose (of acetaminophen). glutathione in this capacity binds to NAPQI as a suicide substrate and in the process detoxifies it, taking the place of cellular protein thiol groups which would otherwise be covalently modified; when all GSH has been spent, NAPQI begins to react with the cellular proteins, killing the cells in the process. The preferred treatment for an overdose of this painkiller is the administration (usually in atomized form) of N-acetylcysteine, which is used by cells to replace spent GSSG and renew the usable GSH pool. (http://en.wikipedia.org/wiki/glutathione). Glutathione (GSH) - reduced glutathione - is a tripeptide with a gamma peptide linkage between the amine group of cysteine (which is attached by normal peptide linkage to a glycine) and the carboxyl group of the glutamate side-chain. It is an antioxidant, preventing damage to important cellular components caused by reactive oxygen species such as free radicals and peroxides. [Wikipedia]. Glutathione is found in many foods, some of which are cashew nut, epazote, ucuhuba, and canada blueberry. Glutathione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=70-18-8 (retrieved 2024-07-15) (CAS RN: 70-18-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Glutathione reduced (GSH; γ-L-Glutamyl-L-cysteinyl-glycine) is an endogenous antioxidant and is capable of scavenging oxygen-derived free radicals.
(S)-Succinyldihydrolipoamide
(S)-Succinyldihydrolipoamide is a metabolite (a product as well as a substrate) in glutamate degradation. [HMDB] (S)-Succinyldihydrolipoamide is a metabolite (a product as well as a substrate) in glutamate degradation.
Rutacridone
Rutacridone is found in herbs and spices. Rutacridone is an alkaloid from Ruta graveolens (rue). Alkaloid from Ruta graveolens (rue). Rutacridone is found in herbs and spices.
Stealthin C
An organic heterotetracyclic compound that is 10H-benzo[b]fluorene substituted by a methyl group at position 1, hydroxy groups at positions 4, 5 and 9, oxo group at position 10, and an amino group at position 11.
(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-1,2-dihydronaphthalene
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D004791 - Enzyme Inhibitors
(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene
Tolnaftate
Tolnaftate is a synthetic over-the-counter anti-fungal agent. It may come as a cream, powder, spray, or liquid aerosol, and is used to treat jock itch, athletes foot and ringworm. It is sold under several brand names, most notably Tinactin (Schering-Plough Corporation) and Odor-Eaters (Combe Incorporated). Other brands are Absorbine, Aftate, Desenex, Genaspor, NP 27, and Ting.and Odor-Eaters (Combe Incorporated). Other brands are Absorbine, Aftate, Desenex, Genaspor, NP 27, and Ting. [HMDB] Tolnaftate is a synthetic over-the-counter anti-fungal agent. It may come as a cream, powder, spray, or liquid aerosol, and is used to treat jock itch, athletes foot and ringworm. It is sold under several brand names, most notably Tinactin (Schering-Plough Corporation) and Odor-Eaters (Combe Incorporated). Other brands are Absorbine, Aftate, Desenex, Genaspor, NP 27, and Ting.and Odor-Eaters (Combe Incorporated). Other brands are Absorbine, Aftate, Desenex, Genaspor, NP 27, and Ting. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
N-Acetylanonaine
N-Acetylanonaine is found in fruits. N-Acetylanonaine is an alkaloid from the root bark of Zanthoxylum simulans (Szechuan pepper
Aspergillomarasmine A
Aspergillomarasmine A is a metabolite of the cereal fungus (Aspergillus flavus), found only in young culture D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
Hallacridone
Hallacridone is found in herbs and spices. Minor alkaloid from Ruta graveolens (rue) tissue culture
Aristolodione
Aristolodione is found in herbs and spices. Aristolodione is an alkaloid Piper longum (long pepper).
5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one
5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one is isolated from rice cultures of Fusarium equiseti. Isolated from rice cultures of Fusarium equiseti
Tryptophyl-Cysteine
Tryptophyl-Cysteine is a dipeptide composed of tryptophan 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Cysteinyl-Tryptophan
Cysteinyl-Tryptophan is a dipeptide composed of cysteine and tryptophan. 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.
1,N2-propanodeoxyguanosine
1,N2-propanodeoxyguanosine belongs to the family of Purine 2-deoxyribonucleosides and Analogues. These are compounds consisting of a purine linked to a ribose which lacks an hydroxyl group at position 2.
Glutathionate(1-)
Glutathionate(1-), also known as Glutathionic acid or Glutathione, is classified as a member of the Oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Glutathionate(1-) is considered to be soluble (in water) and acidic
Methyl 2-((3,4-dihydro-3,4-dioxo-1-naphthalenyl)amino)benzoate
6-(7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-naphthamide
Cletoquine
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Fabomotizole
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics
N-[1-(2-Oxochromen-3-yl)ethylideneamino]pyridine-4-carboxamide
Moxaverine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AD - Papaverine and derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
N-Desmethylcarboxy Terbinafine
Narciclasine
Toluidine
Toluidine, also known as toluidine red or c.i. pigment red 3, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Toluidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Toluidine can be found in wild celery, which makes toluidine a potential biomarker for the consumption of this food product. The chemical properties of the toluidines are quite similar to those of aniline, and toluidines have properties in common with other aromatic amines. Due to the amino group bonded to the aromatic ring, the toluidines are weakly basic. The toluidines are poorly soluble in pure water but dissolve well in acidic water due to formation of ammonium salts, as usual for organic amines. ortho- and meta-toluidines are viscous Liquids, but para-toluidine is a flaky solid. This difference is related to the fact that the p-toluidine molecules are more symmetrical. p-Toluidine can be obtained from reduction of p-nitrotoluene. p-Toluidine reacts with formaldehyde to form Tr√∂gers base . Toluidine, also known as toluidine red or c.i. pigment red 3, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Toluidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Toluidine can be found in wild celery, which makes toluidine a potential biomarker for the consumption of this food product. The chemical properties of the toluidines are quite similar to those of aniline, and toluidines have properties in common with other aromatic amines. Due to the amino group bonded to the aromatic ring, the toluidines are weakly basic. The toluidines are poorly soluble in pure water but dissolve well in acidic water due to formation of ammonium salts, as usual for organic amines. ortho- and meta-toluidines are viscous liquids, but para-toluidine is a flaky solid. This difference is related to the fact that the p-toluidine molecules are more symmetrical. p-Toluidine can be obtained from reduction of p-nitrotoluene. p-Toluidine reacts with formaldehyde to form Trögers base .
Ala-Phe-Ala
tolnaftate
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3131
Demethyl
Higenamine hydrochloride (Norcoclaurine hydrochloride), a β2-AR agonist, is a key component of the Chinese herb aconite root that prescribes for treating symptoms of heart failure in the oriental Asian countries. Higenamine hydrochloride (Norcoclaurine hydrochloride) has anti-apoptotic effects[1][2]. Higenamine hydrochloride is a selective LSD1 inhibitor (IC50=1.47 μM) that can be isolated from aconite. Higenamine hydrochloride has anti-inflammatory and antibacterial activity. Higenamine (Norcoclaurine) can attenuate IL-1β-induced Apoptosis through ROS-mediated PI3K/Akt signaling pathway. Higenamine hydrochloride protects brain cells from oxygen deprivation. Higenamine can promote bone formation in osteoporosis through the SMAD2/3 pathway. Higenamine hydrochloride can be used to study cancer, inflammation, cardiorenal syndrome and other diseases[1][2][3][4][5][6]. Higenamine hydrochloride (Norcoclaurine hydrochloride), a β2-AR agonist, is a key component of the Chinese herb aconite root that prescribes for treating symptoms of heart failure in the oriental Asian countries. Higenamine hydrochloride (Norcoclaurine hydrochloride) has anti-apoptotic effects[1][2].
7H-Dibenzo(de,g)quinolin-7-one, 3-hydroxy-1,2-dimethoxy-
7H-Dibenzo(de,g)quinolin-7-one, 9-hydroxy-1,2-dimethoxy-
LY2183240
LY2183240 is a highly potent blocker of anandamide uptake (IC50= 270 pM; Ki=540 nM). LY2183240 is a potent, covalent inhibitor of the endocannabinoid-degrading enzyme fatty acid amide hydrolase (FAAH) with an IC50 of 12.4 nM. LY2183240 inactivates FAAH by carbamylation of the enzyme's serine nucleophile. LY2183240 also inhibits several other brain serine hydrolases with IC50s of 5.3, 0.09, 8.2 nM for MAG lipase, bh6 and KIAA1363, respectively[1][2] [3].
Moxaverine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AD - Papaverine and derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
2-Cyclohex-3-enyl-6-[(3-methoxypropyl)amino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
N4-[5-(2-Phenyleth-1-ynyl)-3-pyridyl]morpholine-4-carboxamide
Foliosidine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids, Foliosidine alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.994 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.993 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.992 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.990
CP_M308a
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2101
CP_M308b
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2102
CP_M308c
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2103
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]benzamide
1,2-Methylenedioxy-6alpha,7-dehydroaporphine-10,11-quinone
Me glycoside,N-Ac,4,6-O-benzylidene-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose
1,2,3,7-tetrahydroxy-1,3,4,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one|Narciclasin = 1,2,3,7-Tetrahydro-8,9-methylendihydroxy-1,2,3,7-tetrahydroxy-phenanthridon|narciclasine
2-isopropenyl-5-methoxy-1,11-dihydro-2H-furo[2,3-c]acridin-6-one|Rutacridon
3-Deoxy-3-methylaminoxylose-1,2-O-Isopropylidene, N-benzoyl
2-indolylcarbonyl alpha-L-rhamnopyranoside|3-indolylcarbonyl alpha-L-rhamnopyranoside
2,6-anhydro-3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-D-galacto-non-2-enoic acid|2,6-anhydro-3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-D-galacto-non-2-enonicacid|2-deoxy-N-glycoloyl-2,3-didehydroneuraminic acid
(S)-2-((S)-2-((S)-2-Amino-4-(methylthio)butanamido)propanamido)-3-hydroxypropanoic acid
Apoatropine HCl
Demethyl
Higenamine hydrochloride (Norcoclaurine hydrochloride), a β2-AR agonist, is a key component of the Chinese herb aconite root that prescribes for treating symptoms of heart failure in the oriental Asian countries. Higenamine hydrochloride (Norcoclaurine hydrochloride) has anti-apoptotic effects[1][2]. Higenamine hydrochloride is a selective LSD1 inhibitor (IC50=1.47 μM) that can be isolated from aconite. Higenamine hydrochloride has anti-inflammatory and antibacterial activity. Higenamine (Norcoclaurine) can attenuate IL-1β-induced Apoptosis through ROS-mediated PI3K/Akt signaling pathway. Higenamine hydrochloride protects brain cells from oxygen deprivation. Higenamine can promote bone formation in osteoporosis through the SMAD2/3 pathway. Higenamine hydrochloride can be used to study cancer, inflammation, cardiorenal syndrome and other diseases[1][2][3][4][5][6]. Higenamine hydrochloride (Norcoclaurine hydrochloride), a β2-AR agonist, is a key component of the Chinese herb aconite root that prescribes for treating symptoms of heart failure in the oriental Asian countries. Higenamine hydrochloride (Norcoclaurine hydrochloride) has anti-apoptotic effects[1][2].
Tebuconazole
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 327
N-Allyladenosine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.520 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.523 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.516 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.518
tolnaftate
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10164; ORIGINAL_PRECURSOR_SCAN_NO 10163 CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10182; ORIGINAL_PRECURSOR_SCAN_NO 10181 CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10208; ORIGINAL_PRECURSOR_SCAN_NO 10207 CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10225; ORIGINAL_PRECURSOR_SCAN_NO 10224 CONFIDENCE standard compound; INTERNAL_ID 850; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10249; ORIGINAL_PRECURSOR_SCAN_NO 10244
Reduced glutathione
A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine. L-Glutathione reduced (GSH; γ-L-Glutamyl-L-cysteinyl-glycine) is an endogenous antioxidant and is capable of scavenging oxygen-derived free radicals.
Glutathione reduced
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RWSXRVCMGQZWBV_STSL_0160_Glutathione_2000fmol_180506_S2_LC02_MS02_186; 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.
(Methoxymethyl)triphenylphosphonium
CONFIDENCE standard compound; INTERNAL_ID 2485
(E)-2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-ynoic acid
Toxin C
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
N-Acetylanonaine
Piperadione
5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxybutanoyl)-2,2-dimethyl-4H-4-chromanone
7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine
Arginine aspartate
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
2-Benzoxazol-2-yl-1-(4-trifluoromethylphenyl)-ethanol
(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-HYDROXY-3,3-DIMETHYLPYRROLIDINE-2-CARBOXYLICACID
N-[(3aS,4R,6S,6aR)-Tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamicacid phenylmethyl ester
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylpropanoate
1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]ethanone
(2S)-4-oxo-2-(phenylmethoxycarbonylamino)-4-prop-2-enoxybutanoate
tert-butyl 8,8-dimethyl-3-nitro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
(S)-2-(2-Fluoro-benzyl)-3,5-dioxo-pyrrolidine-1-carboxylic acid tert-butyl ester
((3AR,4R,6R,6AR)-6-(6-AMINO-9H-PURIN-9-YL)-2,2-DIMETHYLTETRAHYDROFURO[3,4-D][1,3]DIOXOL-4-YL)METHANOL
4-chloro-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazoline
1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrole
1,3,3-TRIMETHYLINDOLINO-8-METHOXYBENZOPYRYLOSPIRAN
Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine-6-carboxylic acid
Ethanone, 1-(3,5-dihydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride
N-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-phenylethanamine
ETHYL1-PHENYL-5-PHENYLAMINOIMIDAZOLE-4-CARBOXYLATE
ethyl 5-amino-1,4-diphenyl-1H-pyrazole-3-carboxylate
tert-Butyl 4-(2-fluorobenzoyl)piperidine-1-carboxylate
4-(5-CARBOXY-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-amino-4-methylsulfanylbutanoic acid,(2,5-dioxoimidazolidin-4-yl)urea
6-Fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid
(3BETA,12BETA,16BETA,23R,24R,25S,26S))-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-26-HYDROXY-9,19-CYCLOANOSTAN-3-YLBETA-D-XYLOPYRANOSIDE
6-(4-METHOXY-PHENYL)-3-THIOPHEN-2-YL-PYRAZOLO[1,5-A]PYRIMIDINE
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
4-Nitrobenzyl {(1E)-1-[(3S)-3-hydroxy-1-pyrrolidinyl]ethylidene}c arbamate
3-amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
tert-butyl 4-(3-nitrophenyl)piperazine-1-carboxylate
2,3-O-Isopropylideneadenosine
2',3'-O-Isopropylideneadenosine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
(3BETA,5BETA)-3-[(2,6-DIDEOXY-4--O-BETA-D-GLUCOPYRANOSYL-BETA-D-XYLO-HEXOPYRANOSYL)OXY]-5,14-DIHYDROXY-19-OXOCARD-20(22)-ENOLIDE
(R)-Ethyl piperidine-3-carboxylate (2R,3R)-2,3-dihydroxysuccinate
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-methylsulfanylindol-2-yl]boronic acid
3-hydroxy-7-methoxy-N-(o-tolyl)naphthalene-2-carboxamide
(4-CYCLOHEXYL-5-FURAN-2-YL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
5-azido-1,3,8-trimethyl-6-nitropyrido[2,3-d]pyrimidine-2,4,7-trione
3-(3-TERT-BUTYL-4-METHOXYBENZYLIDENYL)INDOLIN-2-ONE
(4-cyano-3,5-difluorophenyl) 4-propylcyclohexane-1-carboxylate
3-(4-nitrophenoxycarbonyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
Zetidoline
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
3-(3-4-FLUOROPHENYL-1-ISOPROPYL-1H-INDOLE-2-YL) PROPENAL
(2E,4E)-4-(1-ETHYLQUINOLIN-2(1H)-YLIDENE)-1-PHENYLBUT-2-EN-1-ONE
4-Methoxycarbonyl-2-nitrophenylboronic acid, pinacol ester
N-(2,4,6-TRIMETHYLPHENYLCARBAMOYLMETHYL)IMINO-DIACETIC ACID,
4-(2-FURYLMETHYL)-5-(1-NAPHTHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
BENZYL 4-OXO-2-PHENYL-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine
4-[3-[4-(Methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine
(1R,4R)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
2-(4-boronophenyl)-6-methylquinoline-4-carboxylic acid
4-(Diethylamino)-2-ethoxybenzenediazonium Tetrafluoroborate
(R)-3-(2-Nitro-phenylaMino)-pyrrolidine-1-carboxylic acid tert-butyl ester
3-(2-Chloro-1-oxopropyl)spiro[2H-1,3-benzoxazine-2,1-cyclohexan]-4(3H)-one
Sulfasymazine
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
A-68930 hydrochloride
A68930 hydrochloride, as a dopamine D1 receptor agonist, can be used for the research of bronchiectasis[1].
1-[4-(2-chloroethoxy)phenyl]-3,3,4,4,4-pentadeuterio-2-phenylbutan-1-one
ETHYL 4-HYDROXY-5,6,8-TRIMETHOXYQUINOLINE-2-CARBOXYLATE
4-[[(3-HYDROXY-2-NAPHTHYL)CARBONYL]AMINO]BENZOIC ACID
3-Bromo-7-cyclohexyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
BUPRANOLOL hydrochloride
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
6-(4-Methoxyphenyl)-3-(3-thienyl)-pyrazolo(1,5-a)pyrimidine
4-allyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
2-methyl-N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-2-propenamide
4-{(2E)-2-[(1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinyl}benzoic acid
4-(2,6-Dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
4-(1-Benzotriazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
6-Amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone
3-(Dimethylaminomethylideneamino)-4-methoxy-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester
2-(Diethylamino)-3,6-dinitro-4H-1-benzopyran-4-one
6-Hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid pyridin-3-ylamide
2-(2-Fluorophenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
2-Amino-N,N-Bis(Phenylmethyl)-1,3-Oxazole-5-Carboxamide
4-[(7r,7as)-7-Hydroxy-1,3-Dioxotetrahydro-1h-Pyrrolo[1,2-C]imidazol-2(3h)-Yl]-1-Naphthonitrile
2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Fabomotizole
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics
3-(4-chlorophenyl)-2-cyclopropyl-4-(1H-1,2,4-triazol-1-yl)butane-1,3-diol
1-[2-(4-chlorophenyl)-3-cyclopropyl-2-hydroxybutyl]-1H-1,2,4-triazol-5-ol
1-[2-(4-chlorophenyl)-3-cyclopropyl-2-hydroxybutyl]-1H-1,2,4-triazol-3-ol
(1R,5S)-8-hydroxy-8-azabicyclo[3.2.1]oct-3-yl 3,4-dimethoxybenzoate
1-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]ethenyl-methoxyphosphinic acid
(5S,6R)-5-acetamido-2-hydroxy-4-oxo-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
4-[(3S)-8-amino-8-oxo-1-sulfanyloctan-3-yl]sulfanyl-4-oxobutanoic acid
N-Desmethylcarboxy Terbinafine
N-[1-(2-Oxochromen-3-yl)ethylideneamino]pyridine-4-carboxamide
3-[(6-Methyl-4-phenyl-2-quinazolinyl)amino]propanoic acid
N-[2-(4-methoxyphenyl)ethyl]-2-quinoxalinecarboxamide
N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]pentanamide
6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
2-(4-methyl-1-oxo-2-phthalazinyl)-N-(4-methylphenyl)acetamide
4-butyl-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol
N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
1-(4-Carbamoyl-2-nitrophenyl)-4-piperidinecarboxylic acid methyl ester
N-(4-cyano-2-methyl-3-pyrazolyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide
1-hydroxy-2-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-benzotriazin-3-one
4-chloro-6-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]pyrimidin-5-amine
5-amino-4-(1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrrol-3-one
(E)-3-(3-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
2-(4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)benzo[d]oxazole
2-[(2S,5S,6S)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
2-[(2R,5R,6S)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2R,5R,6R)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2S,5R,6R)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(2S,5R,6S)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2R,5S,6R)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2S,5S,6R)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2R,5S,6S)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
Fructosyllysinate
The glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosyllysine.
2-oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate
2-oxo-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate
(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-(methylaminomethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
(Z)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenyl)prop-2-enenitrile
(3S,4S)-1-Benzyl-3-((1S)-1-hydroxyethyl)-4-((E)-styryl)-2-azetidinone
LY 294002
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D004791 - Enzyme Inhibitors
2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one
Phytochelatin
A family of peptides related to glutathione and composed of (gamma-Glu-Cys)n-Gly where n is in the range 2-11.
1A-116
1A-116, a potent Rac1 inhibitor, is specific for W56 residues, can prevent EGF-induced Rac1 activation and block Rac1-P-Rex1 interaction. 1A-116 can induce apoptosis and inhibit cell proliferation, migration and cycle progression in a concentration-dependent manner. 1A-116 also demonstrates a high antimetastatic activity in vivo[1][2][3].
FAAH/MAGL-IN-5
AM6701 is a potent FAAH/MAGL inhibitor (equipotent inhibitory IC50: 1.2 nM) with neuroprotective effects[1].
methyl 2-[(10s)-8,10-dimethoxy-12-oxo-4,11-dioxa-2-azatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-10-yl]acetate
5-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁸.0¹³,¹⁷]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one
15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
(9s)-9-hydroxy-3-methyl-n-(2-sulfoethyl)dec-2-enimidic acid
(2r,3r,4s,4ar)-2h,3h,4h,4ah,9h-[1,3]dioxolo[4,5-j]phenanthridine-2,3,4,6,7-pentol
5,8-dihydroxy-10-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,8,11,13,15,17-octaen-19-one
2-hydroxy-n-[(1s)-1-[(3s)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]-3-methylbutyl]ethanimidic acid
(1r,7ar)-7-({[(2z)-3-hydroxyprop-2-enoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2e)-2-methylbut-2-enoate
(1r)-5-methoxy-1-(2-methylprop-1-en-1-yl)-1h,6h-furo[3,4-c]carbazol-3-one
15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
5-(4-methoxybenzoyl)-2h-[1,3]dioxolo[4,5-g]isoquinoline
(2s)-2-({[(6s)-6-amino-7-oxo-1,5,6,7a-tetrahydroinden-1-yl](hydroxy)methylidene}amino)-3-(c-hydroxycarbonimidoyl)propanoic acid
17-methoxy-13-methyl-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(18),2(10),3,8,13,15(19),16-heptaen-11-one
Artabonatine
{"Ingredient_id": "HBIN016911","Ingredient_name": "Artabonatine","Alias": "NA","Ingredient_formula": "C18H13NO4","Ingredient_Smile": "COC1=C2C3=CC=CC=C3C(=O)C4=C2C(=C(C(=O)N4)OC)C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32508","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
