Exact Mass: 404.05578760000003
Exact Mass Matches: 404.05578760000003
Found 170 metabolites which its exact mass value is equals to given mass value 404.05578760000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate
C12H20O13S (404.06245900000005)
Citalopram hydrobromide
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
Mollicellin D
C21H21ClO6 (404.10265960000004)
Mollicellin D is produced by Chaetomium species and mycotoxin. Production by Chaetomium subspecies and mycotoxin.
Sulfoxone
Sulfoxone is only found in individuals that have used or taken this drug. It is a water-soluble sulfone used as an antileprosy drug. It has been used with limited success in the treatment of dermatitis herpetiformis. Sulfoxone is a competitive inhibitor of bacterial enzyme dihydropteroate synthetase. The normal substrate for the enzyme, para-aminobenzoic acid (PABA) cannot bind as usual. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent
Urolithin A-3-O-glucuronide
Urolithin A glucuronide is a biomarker of nut consumption in urine.
Glyceryl lactopalmitate
Glyceryl lactopalmitate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Urolithin A-8-O-glucuronide
Urolithin A-8-O-glucuronide is a conjugate of Urolithin A and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases. (Wikipedia)
Zopiclone N-oxide
Zopiclone N-oxide is a primary, active metabolite of zopiclone. Zopiclone (brand names Imovane, Zimovane, and Dopareel) is a nonbenzodiazepine hypnotic agent used in the treatment of insomnia. Zopiclone is molecularly distinct from benzodiazepine drugs and belongs to the class of drugs known as cyclopyrrolones. However, zopiclone increases the normal transmission of the neurotransmitter gamma-aminobutyric acid (GABA) in the central nervous system, via modulating benzodiazepine receptors in the same way that benzodiazepine drugs do (Wikipedia).
Urolithin a 3-glucuronide
Urolithin a 8-glucuronide
Disuccinimido dithiobispropionate
C14H16N2O8S2 (404.03480559999997)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents
Iolopride
C15H21IN2O3 (404.05968659999996)
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
Dithio bis(succinimidyl propionate)
C14H16N2O8S2 (404.03480559999997)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents
VX-702
C19H12F4N4O2 (404.08963399999993)
bromodeoxytopsentin
An aromatic ketone that is imidazole which is substituted by a 1H-indole-3-carbonyl group and a 6-bromo-1H-indol-3-yl group at positions 2 and 4, respectively. Isolated from the Mediterranean shallow-water sponge, Topsentia genetrix. It is a potent inhibitor of MRSA pyruvate kinase and exhibits antibacterial properties.
4-Cyano-5-{[(diethylamino)carbothioyl]thio}isothiazol-3-yl (diethylamino)methanedithioate
2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
3-Formyl-6-(3-formyl-2,4-dihydroxy-6-methyl-benzoyloxymethyl)-2,4-dihydroxy-benzoesaeure-methylester|3-formyl-6-(3-formyl-2,4-dihydroxy-6-methyl-benzoyloxymethyl)-2,4-dihydroxy-benzoic acid methyl ester|methyl barbatolate
2-Hydroxy-6-methylbenzoic acid 4-(4-oxo-5,7-dihydroxy-4H-1-benzopyran-3-yl)phenyl ester
CP-114271
CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3461; ORIGINAL_PRECURSOR_SCAN_NO 3459 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3459; ORIGINAL_PRECURSOR_SCAN_NO 3456 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3469; ORIGINAL_PRECURSOR_SCAN_NO 3467 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3454; ORIGINAL_PRECURSOR_SCAN_NO 3452 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3530; ORIGINAL_PRECURSOR_SCAN_NO 3529 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3463; ORIGINAL_PRECURSOR_SCAN_NO 3461 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7200; ORIGINAL_PRECURSOR_SCAN_NO 7197 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7214; ORIGINAL_PRECURSOR_SCAN_NO 7212 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7239; ORIGINAL_PRECURSOR_SCAN_NO 7236 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7248; ORIGINAL_PRECURSOR_SCAN_NO 7245 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7237; ORIGINAL_PRECURSOR_SCAN_NO 7235 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7250; ORIGINAL_PRECURSOR_SCAN_NO 7248
Ribavirin 5-diphosphate
A 1-ribosyltriazole that is ribavirin in which the hydroxy group at the 5-position is replaced by a diphosphate group. It is the metabolite of the antiviral agent ribavirin.
Met-Phe-OH
C19H20N2O6S (404.10420200000004)
Asp-Tyr-OH
C18H16N2O9 (404.08557659999997)
Phe-Met-OH
C19H20N2O6S (404.10420200000004)
Sulfoxone
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent
Urolithin a-O-glucuronide
Glyceryl lactopalmitate
Mollicellin D
C21H21ClO6 (404.10265960000004)
Benzoic acid,2-hydroxy-5-[2-[4-[(2-thiazolylamino)sulfonyl]phenyl]diazenyl]-
1H,1H-Nonafluoropentyl p-toluenesulfonate
C12H9F9O3S (404.01286719999996)
N-(3-Chloro-4-fluorophenyl)-6-nitro-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4-quinazolinamine
C18H14ClFN4O4 (404.06875660000003)
2,2-[1,4-phenylenebis (carbonylimino)] bis-Benzoic acid
2-[(4-chloro-2-nitrophenyl)azo]-N-(4-ethoxyphenyl)-3-oxobutyramide
tert-Butyl 3-((3-iodopyridin-2-yloxy)methyl)-pyrrolidine-1-carboxylate
C15H21IN2O3 (404.05968659999996)
3-(METHOXYCARBONYL)-5-(((4-NITROBENZYL)OXY)CARBONYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLIC ACID
(OXYDI-2,1-PHENYLENE)BIS(DIPHENYLPHOSPHINE)
C10H5F13O2 (404.00819459999997)
7-Amino-3 chloromethyl-3-cephem-4-carboxylic Acid p-Methoxybenzyl Ester Hydrochloride
C16H18Cl2N2O4S (404.03642880000007)
(Z)-4-hydroxypent-3-en-2-one,(E)-4-hydroxypent-3-en-2-one,yttrium,hydrate
Ethylenediaminetetraacetic acid dipotassium salt dihydrate
6-BROMO-4-(2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOLINE
7-BROMO-4-(2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOLINE
1-Acetyl-3-(acetyloxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
3-(1H,1H-Nonafluoropentyl)-4-methylcyclopentane-1,1-dicarboxylic acid
carbon monoxide,(1Z,5Z)-cycloocta-1,5-diene,tungsten
2-(Bromomethyl)-4-fluoro-5-isopropyl-2-Methoxy-4-(trifluoromethyl)biphenyl
Sodium 7-(1H-tetrazol-1-yl)acetamidocephalosporanate
C13H13N6NaO6S (404.05149580000005)
TERT-BUTYL 4-((4-BROMOPHENYL)SULFONYL)PIPERAZINE-1-CARBOXYLATE
C15H21BrN2O4S (404.04053260000006)
Thiphencillin potassium
C16H17KN2O4S2 (404.02667820000005)
C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Acetic acid, (4-((2R)-2-(((2S)-2-hydroxy-2-(2-(trifluoromethyl)-4-thiazolyl)ethyl)amino)propyl)phenoxy)-
5-(3-Methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
4-[2-(4-Bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
N-(4-acetylphenyl)-2-[[3-(2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine
(2r)-2-Amino-3,3,3-Trifluoro-N-Hydroxy-2-{[(4-Phenoxyphenyl)sulfonyl]methyl}propanamide
C16H15F3N2O5S (404.06537360000004)
N-[2-(4-Carboxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamine
3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-beta-D-galactopyranose 4-sulfate
C12H20O13S (404.06245900000005)
3-glycyl-AMP
C12H17N6O8P (404.08454520000004)
A glycinyl ester obtained by formal condensation of the carboxy group of glycinne with the 3-hydroxy group of AMP.
7-[[[1-(3-Methylphenyl)-2-benzimidazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
C21H16N4OS2 (404.07654859999997)
4-(2,4-Dichlorophenyl)-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxamide
2-(2-Fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(1-piperidinyl)oxazole
N-(2,4-dimethoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
C15H15F3N4O4S (404.07660660000005)
2-[5-(4-Chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile
2-(2-fluorophenoxy)-N-[4-(2-furanylmethylsulfamoyl)phenyl]acetamide
C19H17FN2O5S (404.08421640000006)
N-(4-bromophenyl)-4-(2-methoxyphenyl)-1-piperidinecarbothioamide
C19H21BrN2OS (404.05578760000003)
N-[(4-nitrophenyl)methylene]-2-(10H-phenothiazin-10-yl)acetohydrazide
(6R)-6-(4-bromophenyl)-3-(2-furanylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
[(3aS,4S,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone
C19H18BrFN2O2 (404.05355999999995)
[(3aR,4R,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone
C19H18BrFN2O2 (404.05355999999995)
[(3aS,4R,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone
C19H18BrFN2O2 (404.05355999999995)
[(3aR,4S,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone
C19H18BrFN2O2 (404.05355999999995)
1-S-[3-hydroxy-3-methyl-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose
2-Methyl-1,4-bis(trimethylstannyl)-2-butene
C11H32Sn2 (404.05478519999997)
urolithin A 3-O-glucuronide
A member of the class of benzochromenones that is urolithin A in which the phenolic hydrogen at position 3 has been replaced by a beta-D-glucuronosyl group.
urolithin A 8-O-glucuronide
A member of the class of benzochromenones that is urolithin A in which the phenolic hydrogen at position 8 has been replaced by a beta-D-glucuronosyl group.
glucocleomin(1-)
A hydroxy-alkylglucosinolate that is 2-methylbutylglucosinolate which has been hydroxylated at the 2-position of the 2-methylbutyl chain.
Aluminoparaaminosalicylate calcium
(C7H5NO3)2. Al. H2O. OH. Ca (404.0113198)
4BP-TQS
4BP-TQS is a potent allosteric agonist of α7 nAChR. 4BP-TQS activates nAChRs via an allosteric transmembrane site[1].
AMPA receptor modulator-2
AMPA receptor modulator-2 (Example 134) is a AMPA receptor modulator, with a pIC50 of 10.1 for TARPγ2 dependent AMPA receptor[1]. pIC50 = -lgIC50.
Leramistat
Leramistat (HMC-C-01-A; MBS2320) is a mitochondrial complex 1 inhibitor, involving in cell metabolism immune metabolism regulation. Leramistat also inhibits ATP production in Thp1 human monocytes (IC50: 0.63 μM). Leramistat inhibits atopic dermatitis and other skin diseases autoimmune diseases, inflammatory diseases, cancer; and also inhibits osteoclast mediated disease[1][2][3].
1',5-dihydroxy-6'-methoxy-3',7-dimethyl-[2,2'-binaphthalene]-1,4,5',8'-tetrone
(2r,3r)-6-chloro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
5,13,17-trihydroxy-12-(hydroxymethyl)-4-(methoxymethyl)-7-methyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-9,15-dione
3-{[(5,7-dihydroxy-6-methyl-1-oxo-3h-2-benzofuran-4-yl)oxy]carbonyl}-2-hydroxy-6-methoxy-4-methylbenzoic acid
6-hydroxy-5,7,12,13,14-pentamethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
1',4-dihydroxy-6'-methoxy-2,3'-dimethyl-[1,2'-binaphthalene]-5,5',8,8'-tetrone
7-chloro-3-[(6-chloro-4-hydroxy-1h-indol-3-yl)methyl]-5-hydroxy-6-methyl-3h-1,4-benzoxazepin-2-one
(2s,3r,4s,5s,6r)-2-[(5,7-dichloro-8-hydroxy-6-methylnaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[(5,7-dichloro-8-hydroxy-6-methylnaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,5'r,7s,7as)-5'-[(2-hydroxyphenyl)methyl]-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol
C19H20N2O4S2 (404.08644400000003)
(2e)-2,3-bis(7-methoxy-2-oxochromen-8-yl)prop-2-enal
2-(3-ethenyl-2-methyloxiran-2-yl)-11-hydroxy-5-(hydroxymethyl)-1-oxatetraphene-4,7,12-trione
methyl 3-formyl-6-[(3-formyl-2,4-dihydroxy-6-methylbenzoyloxy)methyl]-2,4-dihydroxybenzoate
6-chloro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
1',5-dihydroxy-7'-methoxy-3',7-dimethyl-[2,2'-binaphthalene]-1,4,5',8'-tetrone
6-bromo-3-[2-(1h-indole-3-carbonyl)-1h-imidazol-4-yl]-1h-indole
3-[2-(6-bromo-1h-indole-3-carbonyl)-1h-imidazol-4-yl]-1h-indole
4-chloro-6-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-5-propylbenzene-1,3-diol
C18H19Cl3O4 (404.03488640000006)
(2r,3s)-6-chloro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
5'-[(2-hydroxyphenyl)methyl]-5'-(methylsulfanyl)-7,7a-dihydro-3h-spiro[1-benzothiophene-2,2'-pyrazine]-3',6',7-triol
C19H20N2O4S2 (404.08644400000003)