Exact Mass: 409.09598960000005
Exact Mass Matches: 409.09598960000005
Found 179 metabolites which its exact mass value is equals to given mass value 409.09598960000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glucotropaeolin
Glucotropeolin belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Outside of the human body, glucotropaeolin has been detected, but not quantified in, several different foods, such as white mustards, garden cress, horseradish, cabbages, and Brassicas. This could make glucotropaeolin a potential biomarker for the consumption of these foods. Glucotropaeolin is isolated from seeds of Tropaeolum majus (garden nasturtium), Lepidium sativum (garden cress), and other crucifers. Isolated from seeds of Tropaeolum majus (garden nasturtium), Lepidium sativum (garden cress) and other crucifers. Glucotropaeolin is found in many foods, some of which are brassicas, horseradish, papaya, and white mustard. Acquisition and generation of the data is financially supported in part by CREST/JST.
1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole
C12H20N5O9P (409.0998600000001)
DU-6859
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
PF-670462
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
IWR-1-endo
Urea,3,4-tri-O-acetyl-D-ribopyranosyl)-
N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-proline
C17H23N5O5S (409.14198280000005)
8-(2,4-Dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[5,1-f][1,3,5]triazin-4-amine
7-[(7S)-7-Amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
Lifibrate
C20H21Cl2NO4 (409.08475660000005)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent
methionine aspartate aspartate
Telatinib
Verubecestat
C17H17F2N5O3S (409.1020116000001)
6,7-dimethoxy-13-methyl-13,14-dihydro-[1,3]dioxolo[4,5-i][1,3]dioxolo[4,5:4,5]benzo[1,2-c]phenanthridin-14-ol|Macarpin
C22H19NO7 (409.11614640000005)
cladoniamide D
C21H16ClN3O4 (409.08292860000006)
An organic heteropentacyclic compound that is cladoniamide E in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis.
cladoniamide F
C21H16ClN3O4 (409.08292860000006)
An organic heteropentacyclic compound that is cladoniamide G in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis.
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IWR-1-exo
(R)-2-Benzyloxycarbonylamino-1,5-dimethanesulfonyloxypentane
Tiquizium bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione,9-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-dimethyl-7-(2-propynyl)- (9CI)
Thiazolidine, 3-[(2,3-dihydro-1H-phenalen-4-yl)sulfonyl]-2-(4-methylphenyl)- (9CI)
(S)-(-)1 2 3 4-TETRAHYDRO-6 7DI-MEO-3-I&
C19H23NO7S (409.11951680000004)
glimepiride related compound c (20 mg) (glimepiride urethane)
C18H23N3O6S (409.13074980000005)
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-phenylmethoxyquinazolin-4-amine
m-Fluoro Prasugrel Hydrochloride
C20H21ClFNO3S (409.09146380000004)
p-Fluoro Prasugrel Hydrochloride
C20H21ClFNO3S (409.09146380000004)
5-Chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-2-thiophenecarboxamide
C18H20ClN3O4S (409.0862990000001)
bis(acetato-O)(7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylato-O(3),O(4))boron
Sitafloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Prasugrel hydrochloride
C20H21ClFNO3S (409.09146380000004)
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Prasugrel hydrochloride (PCR 4099 hydrochloride), a thienopyridine and proagent, inhibits platelet function. Prasugrel hydrochloride is an orally active and potent P2Y12 receptor antagonist, and inhibits ADP-induced platelet aggregation[1].
(2,4-DIFLUORO-PHENYL)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-ACETIC ACID
C23H17F2NO4 (409.11255860000006)
1H-Indazole-1-acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)-(9CI)
C19H18F3N3O4 (409.12493440000003)
Telatinib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
Pimethixene maleate
C23H23NO4S (409.13477180000007)
Pimethixene maleate is antihistamine and antiserotonergic compound, acts as an antimigraine agent. Pimethixene maleate is a highly potent antagonist of 5-HT1A, 5-HT2A, 5-HT2B, 5-HT2C, histamine H1, dopamine D2 and D4.4 as well as muscarinic M1 and M2 receptors, with pKis of 7.63, 10.22, 10.44, 8.42, 10.14, 8.19, 7.54, 8.61 and 9.38, respectively[1].
MK-8931
C17H17F2N5O3S (409.1020116000001)
C26170 - Protective Agent > C1509 - Neuroprotective Agent C471 - Enzyme Inhibitor
(S)-5-Chloro-(cyclopropylethynyl)-2-[(4-methoxyphenyl)methyl]amion trifluoromethyl benzenemethanol
C21H19ClF3NO2 (409.10563400000007)
Fanapanel
C14H15F3N3O6P (409.06505360000006)
C26170 - Protective Agent > C1509 - Neuroprotective Agent Fanapanel (ZK200775) is a highly selective AMPA/kainate antagonist with little activity against NMDA; have Ki values of 3.2 nM, 100 nM, and 8.5 μM against quisqualate, kainate, and NMDA, respectively.
[4,5-Diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate
Nedocromil calcium
C19H15CaNO7 (409.04743900000005)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D000893 - Anti-Inflammatory Agents > D000082142 - Mast Cell Stabilizers D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D018926 - Anti-Allergic Agents D007155 - Immunologic Factors
3-[5-[(4-Chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-(phenylmethyl)-2-pyridinone
C21H16ClN3O2S (409.06517060000004)
3-[(4-Bromophenyl)amino]-3-(4-methoxyphenyl)-1-phenylpropan-1-one
C22H20BrNO2 (409.06773200000003)
N-[(6-Butoxynaphthalen-2-Yl)sulfonyl]-D-Glutamic Acid
C19H23NO7S (409.11951680000004)
N-[(6-Butoxynaphthalen-2-Yl)sulfonyl]-L-Glutamic Acid
C19H23NO7S (409.11951680000004)
3-((3-Bromo-5-O-Tolylpyrazolo[1,5-A]pyrimidin-7-Ylamino)methyl)pyridine 1-Oxide
3-[3-[[(2S)-2,3-dihydroxypropyl]amino]phenyl]-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
C22H20FN3O4 (409.14377720000005)
lifibrate
C20H21Cl2NO4 (409.08475660000005)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent
Glucotropeolin
An aralkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 2-phenyl-N-(sulfooxy)ethanimidoyl group at the anomeric sulfur.
Aklaviketone(1-)
A phenolate anion obtained by deprotonation of 5-hydroxy group of aklaviketone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-pentynamide
(E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)but-3-enoic acid
C21H16ClN3O2S (409.06517060000004)
N-(1,3-benzodioxol-5-yl)-2-[(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide
C19H15N5O4S (409.08447100000006)
2,4-dihydroxy-N-((1E)-{4-methoxy-3-[(pyridin-2-ylthio)methyl]phenyl}methylene)benzohydrazide
C21H19N3O4S (409.1096214000001)
4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
C20H19N5O3S (409.1208544000001)
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-pyridinyl)-3-piperidinecarboxamide
C18H20ClN3O4S (409.0862990000001)
2-(4-Chloro-3-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
C23H20ClNO4 (409.1080790000001)
2-(4-Chloro-2-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
C23H20ClNO4 (409.1080790000001)
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(2-furanylmethyl)acetamide
C21H19N3O4S (409.1096214000001)
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
C22H20ClN3O3 (409.11931200000004)
(2-Methyl-[1,3]dioxolan-2-yl)-acetic acid [1-(3,4-dichloro-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene]-hydrazide
C19H21Cl2N3O3 (409.09598960000005)
2-cyclopropyl-2-hydroxy-6-mercapto-3-(3-methyl-1-pyridin-1-iumyl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
4-(Furan-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
C21H19N3O4S (409.1096214000001)
{[(E)-(2-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxy}sulfonic acid
2,4-Dibenzyl-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,4H)-trione
SN-38 carboxylate
A hydroxy monocarboxylic acid anion that is the conjugate base of SN-38 carboxylic acid, obtained from the deprotonation of the carboxy group. It is the major microspecies at pH 7.3.
orlandin(1-)
A phenolate anion resulting from the deprotonation of the 7-hydroxy group orlandin. It is the major microspecies at pH 7.3.
desertorin A(1-)
A phenolate anion that is the conjugate base of desertorin A, obtained by deprotonation of 7-hydroxy group of desertorin A. It is the major microspecies at pH 7.3.
AT7867 (dihydrochloride)
C20H22Cl3N3 (409.08792220000004)
AT7867 dihydrochloride is a potent ATP-competitive inhibitor of Akt1/Akt2/Akt3 and p70S6K/PKA with IC50s of 32 nM/17 nM/47 nM and 85 nM/20 nM, respectively.
FT113
C22H20FN3O4 (409.14377720000005)
FT113 is a potent and orally active fatty acid synthase (FASN) inhibitor, with an IC50 of 213 nM for full-length recombinant human FASN enzyme. In cell-based assay, FT113 blocks FASN activity in BT474 cells (IC50, 90 nM). FT113 shows anti-proliferative activity, and exhibits anti-cancer activity both in vitro and in vivo[1].
MMRi64
MMRi64 disrupts Mdm2-MdmX interactions. MMRi64 downregulates Mdm2 and MdmX in leukemia cells. MMRi64 induces p53 accumulation, and induces the apoptotic arm of the p53 pathway in leukemia/lymphoma cells. MMRi64 can be used for cancer research[1].
SR17018
SR17018 is an mu-opioid-receptor (MOR) agonist, binding with GTPγS, with an EC50 of 97 nM.
n-{3-[(4s)-1-[(1e)-2-(3-bromo-4-methoxyphenyl)ethenyl]-2-hydroxy-5-oxo-4h-imidazol-4-yl]propyl}guanidine
C16H20BrN5O3 (409.0749430000001)
7-[(3s)-2,4-dihydroxy-3h-indol-3-yl]-4,6-dihydroxy-5-methoxy-3-propylnaphthalene-1,2-dione
C22H19NO7 (409.11614640000005)
(23s)-11,12-dimethoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-ol
C22H19NO7 (409.11614640000005)
(25r)-3β-[(o-β-d-glucopyranosyl-(1→3)-β-d-glucopyranosyl-(1→2)-o-[β-d-xylopyranosyl-(1→3)]-o-β-d-glucopyranosyl-(1→4)-β-d-ga-lactopyranosyl)oxy]-5α-spirostan-12-one
C18H22ClN4O5+ (409.12786520000003)
{"Ingredient_id": "HBIN004736","Ingredient_name": "(25r)-3\u03b2-[(o-\u03b2-d-glucopyranosyl-(1\u21923)-\u03b2-d-glucopyranosyl-(1\u21922)-o-[\u03b2-d-xylopyranosyl-(1\u21923)]-o-\u03b2-d-glucopyranosyl-(1\u21924)-\u03b2-d-ga-lactopyranosyl)oxy]-5\u03b1-spirostan-12-one","Alias": "NA","Ingredient_formula": "C18H22ClN4O5+","Ingredient_Smile": "CC1(C([N+](CCO1)(C=O)N2C=CC3=C2N=CN=C3Cl)C4C5C(CO4)OCO5)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8660","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
11,12-dimethoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-ol
C22H19NO7 (409.11614640000005)
(11r)-7-chloro-11-hydroxy-20-methoxy-n-methyl-12-oxo-3,13-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-1(20),2(10),4,6,8,14,16,18-octaene-11-carboximidic acid
C21H16ClN3O4 (409.08292860000006)
n-[5-({4-[2-amino-4-(hydroxymethyl)phenoxy]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-2-hydroxyphenyl]ethanimidic acid
C21H19N3O6 (409.12737940000005)
7-chloro-11-hydroxy-20-methoxy-n-methyl-12-oxo-3,13-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-1(20),2(10),4,6,8,14,16,18-octaene-11-carboximidic acid
C21H16ClN3O4 (409.08292860000006)
(2r)-3-{[(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)methyl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid
(4s,5r)-4-benzyl-13-bromo-3,6-dimethyl-1,3,6-triazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-9(16),10,12,14-tetraene
(2r)-3-({[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methyl}sulfanyl)-2-[(1-hydroxyethylidene)amino]propanoic acid
7-chloro-12-hydroxy-20-methoxy-n-methyl-11-oxo-3,13-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-1(20),2(10),4,6,8,14,16,18-octaene-12-carboximidic acid
C21H16ClN3O4 (409.08292860000006)
5-chloro-3-{4-[(3r)-5-chloro-1,3-dimethyl-2h-indol-3-yl]-1-methylpyrrol-3-yl}-1h-indole
n-(3-{1-[(1e)-2-(3-bromo-4-methoxyphenyl)ethenyl]-2-hydroxy-5-oxo-4h-imidazol-4-yl}propyl)guanidine
C16H20BrN5O3 (409.0749430000001)
5-chloro-3-[4-(5-chloro-1,3-dimethyl-2h-indol-3-yl)-1-methylpyrrol-3-yl]-1h-indole
[(2-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxysulfonic acid
(2r)-3-{[(1,3-dihydroxy-6-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methyl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid
(12s)-7-chloro-12-hydroxy-20-methoxy-n-methyl-11-oxo-3,13-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-1(20),2(10),4,6,8,14,16,18-octaene-12-carboximidic acid
C21H16ClN3O4 (409.08292860000006)
(4s,5r)-4-benzyl-12-bromo-3,6-dimethyl-1,3,6-triazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-9(16),10,12,14-tetraene
[(z)-(2-phenyl-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxysulfonic acid
n-(3-{1-[2-(3-bromo-4-methoxyphenyl)ethenyl]-2-hydroxy-5-oxo-4h-imidazol-4-yl}propyl)guanidine
C16H20BrN5O3 (409.0749430000001)