Exact Mass: 399.117408
Exact Mass Matches: 399.117408
Found 293 metabolites which its exact mass value is equals to given mass value 399.117408,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Difloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3666 CONFIDENCE standard compound; INTERNAL_ID 1028
Nocardicin E
Narcotoline
C21H21NO7 (399.13179560000003)
Narcotoline is found in opium poppy. Narcotoline is an alkaloid from straw of Papaver somniferum (opium poppy) Narcotoline is an opiate alkaloid chemically related to noscapine. It binds to the same receptors in the brain as noscapine to act as an antitussive, and has also been used in tissue culture media. It can be obtained from the opium poppy Papaver somniferum. It is present at much higher levels in strains used for culinary purposes (poppyseed production) than in high-morphine strains used for opium production. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Alkaloid from straw of Papaver somniferum (opium poppy)
Oxmetidine
C19H21N5O3S (399.1365036000001)
Oxmetidine belongs to the family of Benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
(2aS,3R,4S,5aS,7R)-7-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2a,3,4,5,5a,6,7,8-octahydro-2H-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate
C15H21N5O6S (399.12124860000006)
S-Adenosylmethionine
S-adenosylmethionine, also known as sam or adomet, is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosylmethionine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). S-adenosylmethionine can be found in a number of food items such as common grape, half-highbush blueberry, jerusalem artichoke, and thistle, which makes S-adenosylmethionine a potential biomarker for the consumption of these food products. S-adenosylmethionine can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine, as well as throughout most human tissues. S-adenosylmethionine exists in all eukaryotes, ranging from yeast to humans. In humans, S-adenosylmethionine is involved in several metabolic pathways, some of which include phosphatidylcholine biosynthesis PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), phosphatidylcholine biosynthesis PC(22:0/18:3(9Z,12Z,15Z)), phosphatidylcholine biosynthesis PC(24:0/24:0), and phosphatidylcholine biosynthesis PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0). S-adenosylmethionine is also involved in several metabolic disorders, some of which include methylenetetrahydrofolate reductase deficiency (MTHFRD), 3-phosphoglycerate dehydrogenase deficiency, monoamine oxidase-a deficiency (MAO-A), and aromatic l-aminoacid decarboxylase deficiency. Moreover, S-adenosylmethionine is found to be associated with diabetes mellitus type 2 and neurodegenerative disease. S-adenosylmethionine is a non-carcinogenic (not listed by IARC) potentially toxic compound. S-Adenosyl methionine is a common cosubstrate involved in methyl group transfers, transsulfuration, and aminopropylation. Although these anabolic reactions occur throughout the body, most SAM-e is produced and consumed in the liver. More than 40 methyl transfers from SAM-e are known, to various substrates such as nucleic acids, proteins, lipids and secondary metabolites. It is made from adenosine triphosphate (ATP) and methionine by methionine adenosyltransferase (EC 2.5.1.6). SAM was first discovered by Giulio Cantoni in 1952 . Significant first-pass metabolism in the liver. Approximately 50\\\% of S-Adenosylmethionine (SAMe) is metabolized in the liver. SAMe is metabolized to S-adenosylhomocysteine, which is then metabolized to homocysteine. Homocysteine can either be metabolized to cystathionine and then cysteine or to methionine. The cofactor in the metabolism of homocysteine to cysteine is vitamin B6. Cofactors for the metabolism of homocysteine to methionine are folic acid, vitamin B12 and betaine (T3DB). S-Adenosylmethionine (CAS: 29908-03-0), also known as SAM or AdoMet, is a physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in the treatment of chronic liver disease (From Merck, 11th ed). S-Adenosylmethionine is a natural substance present in the cells of the body. It plays a crucial biochemical role by donating a one-carbon methyl group in a process called transmethylation. S-Adenosylmethionine, formed from the reaction of L-methionine and adenosine triphosphate catalyzed by the enzyme S-adenosylmethionine synthetase, is the methyl-group donor in the biosynthesis of both DNA and RNA nucleic acids, phospholipids, proteins, epinephrine, melatonin, creatine, and other molecules.
Niaziminin
Niaziminin is a glucosinolate and a naturally occurring thiocarbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers of niaziminin (niaziminin A and niaziminin B, respectively) differ in the orientation of the NH group with respect to sulfur. Niaziminin is the 4-O-acetyl derivative of niazimicin.
Adlumidiceine
C21H21NO7 (399.13179560000003)
Adlumidiceine is an alkaloid from Papaver rhoeas (corn poppy). Alkaloid from Papaver rhoeas (corn poppy)
Pipazethate
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants Pipazethate is only found in individuals that have used or taken this drug.It is a non-narcotic oral antitussive agent. C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
alpha-Acetolactate decarboxylase (enzyme preparation from bacillus subtilis recombinant)
alpha-Acetolactate decarboxylase (enzyme preparation from bacillus subtilis recombinant) is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Vitisidin A
Vitisidin A is a polyphenol compound found in foods of plant origin (PMID: 20428313). A polyphenol compound found in foods of plant origin (PhenolExplorer)
AB-MECA
C18H21N7O4 (399.16549460000005)
7-(Tert-Butyl)-3-(2,5-difluorophenyl)-6-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)-[1,2,4]triazolo[4,3-b]pyridazine
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists L-838417 is a selective partial agonist at the α2, α3 and α5 subtypes of the GABAA receptor and an antagonist at the α1, with binding Ki values of 0.79 nM, 0.67 nM, 1.67 nM, 267 nM, 2.25 nM and 2183 nM for α1β3γ2, α2β3γ2, α3β3γ2, α4β3γ2, α5β3γ2 and α6β3γ2[1].
2-Imidazolidinone, 1-(3,5-dichlorophenyl)-3-(2-(1,4-dioxa-8-azaspiro(4.5)dec-8-yl)ethyl)-
C18H23Cl2N3O3 (399.11163880000004)
1H-Indole-2-carboxamide, 5-chloro-N-((1S,2R)-3-(dimethylamino)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-
Deferitazole
N6-Monobutyryl-cAMP
Pantoprazole Sulfone
C16H15F2N3O5S (399.07004440000003)
Quetiapine Sulfoxide
5,6,7,7a-Tetrahydro-10-hydroxy-4,11-dimethoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-7-carboxylic acid methyl ester
C21H21NO7 (399.13179560000003)
6-[(R)-[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl](hydroxy)methyl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
C21H21NO7 (399.13179560000003)
3-Carbamoyl-acetyl-9-methyl-10-oxo-4,5,9-trihydroxy-9,10-dihydroanthracen-2-essigsaeure
(+-)-Prepseudopalmanine|8,13-dioxo-13a-hydroxy-2,3,10,11-tetramethoxyberbine|prepseudopalmanine
C21H21NO7 (399.13179560000003)
4,9,10-Trimethoxy-5-(2-methylamino-aethyl)-phenanthro[3,4-d][1,3]dioxol-6,7-dion|4,9,10-trimethoxy-5-(2-methylamino-ethyl)-phenanthro[3,4-d][1,3]dioxole-6,7-dione
C21H21NO7 (399.13179560000003)
(6R)-7t-((R)-5-acetylamino-5-carboxy-pentanoylamino)-3-methyl-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|Deacetoxycephalosporin C-N-Ac|N-Acetyldeacetoxycephalosporin C
7-[(2-Carboxy-1-pyrrolidinyl)methyl]-5,6-dihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4,8,9-trione
deoxycylindrospermopsin
C15H21N5O6S (399.12124860000006)
A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer). A non-toxic analogue of the cyanotoxins cylindrospermopsin and 7-epi-cylindrospermopsin (the latter two have a hydroxy group attached to the carbon adjacent to the uracil ring), it is produced by several species of freshwater cyanobacteria, such as Cylindrospermopsis raciborskii.
beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-glycyl]glucopyranoside
2-O-(alpha-D-glucopyranosyl)biopterin|2-Amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-on|2-amino-6-((1R?,2S?)-2-alpha-D-glucopyranosyloxy-1-hydroxy-propyl)-3H-pteridin-4-one
L-Valine, 3-hydroxy-,(6-carboxy-4-methoxy-1-phenazinyl)methyl ester (9CI)
C20H21N3O6 (399.14302860000004)
N-(3-Phthalimido-2-(R)-hydroxypropyl)-3-fluoro-4-(morpholinyl)aniline
C21H22FN3O4 (399.15942640000003)
1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]-
C16H15F2N3O5S (399.07004440000003)
Pipazetate
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
alpha-Acetolactate decarboxylase (enzyme preparation from bacillus subtilis recombinant)
adlumidiceine
C21H21NO7 (399.13179560000003)
Vitisidin A
6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyhexyl nitrate
C21H21NO7 (399.13179560000003)
(s)-(+)-1-(alpha-aminobenzyl)-2-naphthol tartarate
C21H21NO7 (399.13179560000003)
Acetamide, N-(3-acetylphenyl)-2-[(5-ethyl-2,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]- (9CI)
[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl](4-phenyl-1 -piperazinyl)methanone
C21H19ClFN3O2 (399.11497560000004)
2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-
Urea, N-[(2-chloro-6-methoxy-3-quinolinyl)methyl]-N-(2-methoxyethyl)-N-phenyl- (9CI)
(R)-(-)-1-(α-aminobenzyl)-2-naphthol tartarate(salt)
C21H21NO7 (399.13179560000003)
1-(DINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)PIPERIDINE
4-(2-methylimidazole -1-yl)-2,2-diphenylbutyronitrile phosphate
C20H22N3O4P (399.13478620000006)
Rufloxacin hydrochloride
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones D004791 - Enzyme Inhibitors
2-(Aminomethyl)cyclobutyl]methanamine 2-hydroxypropanoic acid platinum salt
TAK-715
C24H21N3OS (399.14052560000005)
(2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-Oxathiolane-2-carboxylic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
C18H26FN3O4S (399.1627968000001)
1-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID
C25H21NO4 (399.14705060000006)
Methyl 2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylate
C17H16F3N3O3S (399.0864422000001)
7-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidine
C19H22BN3O4S (399.14240020000005)
Methanone, [4-(3-chlorophenyl)-1-piperazinyl][3-(4-fluorophenyl)-5-methyl-4-isoxazolyl]
C21H19ClFN3O2 (399.11497560000004)
Methyl 5-N,4-O-Carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-beta-D-galacto-2-nonulopyranosylonate
C17H21NO8S (399.09878260000005)
n-fmoc-2-aminoindan-2-carboxylic acid
C25H21NO4 (399.14705060000006)
enoxastrobin
C22H22ClNO4 (399.1237282000001)
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins
fmoc-d-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
C25H21NO4 (399.14705060000006)
4-{4-Amino-5-[(4-cyanophenyl)amino]-2-nitrophenoxy}-3,5-dimethylb enzonitrile
Vactosertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
(S)-5-[[1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl]amino]-5-oxovaleric acid
C20H21N3O6 (399.14302860000004)
(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester (FCME)
C18H26FN3O4S (399.1627968000001)
(R)-(-)-mandelic acid salt of (R)-methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate
C19H20F3NO5 (399.12935060000007)
VT-464
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors C471 - Enzyme Inhibitor > C147923 - CYP17A1 Inhibitor D000970 - Antineoplastic Agents
(Z)-methyl 3-(((4-(methylamino)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate
N-[1-[N-[1-(N-L-Arginylglycyl)-L-prolyl]-L-pheny
C20H21N3O6 (399.14302860000004)
1-ethyl-2-methylnaphtho[1,2-d]thiazolium toluene-p-sulphonate
C21H21NO3S2 (399.09627960000006)
BENZYL 2-AMINO-5-(BENZYLOXY)-4-METHOXYBENZOATE HYDROCHLORIDE
C22H22ClNO4 (399.1237282000001)
Arbaclofen placarbil
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2199 - Adjuvant Analgesic D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents
3-Furancarboxamide, 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-yl]-
C274 - Antineoplastic Agent > C2196 - Antimetastatic Agent
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
N-(3-Tert-butyl-1H-pyrazol-5-YL)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea
(-)-1,2,3,4-tetrahydro-1-(3,4,5-Trimethoxybenzyl)isoquinoline-6,7-diol hydrochloride monohydrate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
S-Adenosyl-L-methionine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pelagiomicin A
C20H21N3O6 (399.14302860000004)
A natural product found in Pelagiobacter variabilis.
Dihydrocodeine phosphate
6-epikarpoxanthin is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. 6-epikarpoxanthin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-epikarpoxanthin can be found in a number of food items such as italian sweet red pepper, herbs and spices, fruits, and orange bell pepper, which makes 6-epikarpoxanthin a potential biomarker for the consumption of these food products.
2,6-difluoro-N-(1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamide
5-(3,4-Dimethoxyphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid
C20H21N3O4S (399.1252706000001)
ethyl 2-[(4E)-1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylacetate
C18H17N5O4S (399.10012020000005)
2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-oxolanylmethyl)acetamide
N-(5-chloro-2-methoxyphenyl)-2-[N-methyl-1-(2-phenyl-2H-1,2,3-triazol-4-yl)formamido]acetamide
(4-Bromophenyl)[4-({(2E)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone
(1R)-1-{[(4-Methoxy-1,1-biphenyl-4-YL)sulfonyl]amino}-2-methylpropylphosphonic acid
(1S)-1-{[(4-Methoxy-1,1-biphenyl-4-YL)sulfonyl]amino}-2-methylpropylphosphonic acid
Difloxacin
A quinolone that is pefloxacin in which the ethyl group at position 1 of the quinolone has been replaced by a p-fluorophenyl group. A broad-spectrum antibiotic effective against both Gram-positive and Gram-negative bacteria, it is used (usually as the monohydrochloride salt) for the treatment of bacterial infections in dogs. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Pipazethate
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
Carbonimidothioic acid, [[4-[(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]phenyl]methyl]-, O-ethyl ester, (E)-
(1R,2R)-cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
D000970 - Antineoplastic Agents
Deoxycylindrospermopsin zwitterion
C15H21N5O6S (399.12124860000006)
2-[(2S,3S)-2,4,6,8-tetrahydroxy-5,10-dioxo-5,10-dihydroanthra[2,3-b]furan-3-yl]ethyl acetate
N-[[1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-3-yl]methyl]carbamodithioate
S-adenosyl-L-(2 hydroxyl-4-methylthio)butyrate
C15H21N5O6S (399.12124860000006)
[(3S)-3-Amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium
3-[(2,5-dichlorophenoxy)methyl]-N-(2,6-dimethylphenyl)benzamide
1-[2,5-Difluoro-3,4-bis(phenylmethoxy)phenyl]-2-(methylamino)ethanol
5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
C20H21N3O4S (399.1252706000001)
N-(2,5-dimethoxybenzylidene)-5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furohydrazide
(R)-2-(3-((3-Fluoro-4-morpholinophenyl)amino)-2-hydroxypropyl)isoindoline-1,3-dione
C21H22FN3O4 (399.15942640000003)
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
C20H21N3O6 (399.14302860000004)
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide
5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
(2S,3S)-versiconal hemiacetal acetate(1-)
A phenolate anion obtained by deprotonation of the 8-hydroxy group of (2S-3S)-versiconal hemiacetal acetate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide
C24H21N3OS (399.14052560000005)
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)benzamide
3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
ethyl 2,4-dimethyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate
C19H21N5O3S (399.1365036000001)
2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide
3-ethyl-1-(2-furanylmethyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea
C20H21N3O4S (399.1252706000001)
(5Z)-3-(2-ethylhexyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
N-[(E)-(1-benzyl-1H-indol-3-yl)methylidene]-4-hydroxy-3-methoxybenzohydrazide
2-Acetyl-3,4a,8,10,11,12a-hexahydroxy-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione
4-fluorobenzyl (1-hydroxy-7-methyl-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-L-valinate
(+)-[6]-Gingerol; (S)-(+)-[6]Gingerol; (S)-[6]Gingerol
(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-2-methyl-1-piperazinyl]methanone
2-thiophen-2-yl-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
C21H21NO5S (399.1140376000001)
(2S,3S,3aR,9bR)-1-acetyl-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H22FN3O4 (399.15942640000003)
(1S,9R,10R,11R)-12-(4-fluorobenzoyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C21H22FN3O4 (399.15942640000003)
(2S,3S,3aR,9bR)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C18H20F3N3O4 (399.14058360000007)
(2R,3R,3aS,9bS)-1-acetyl-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H22FN3O4 (399.15942640000003)
(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C18H20F3N3O4 (399.14058360000007)
(1R,9S,10S,11S)-12-(4-fluorobenzoyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C21H22FN3O4 (399.15942640000003)
2-aminoethyl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid
2-aminoethyl 4-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside
4-(2,5-Dimethylbenzoyl)-5-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-N-hydroxyoctanediamide
C16H22BrN3O4 (399.07935920000006)
Ethyl 3-[(2-chlorophenyl)diazenyl]-2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
C20H18ClN3O4 (399.09857780000004)
2-imino-2-methoxyethyl alpha-D-arabinofuranosyl-(1->6)-1-thio-alpha-D-mannopyranoside
2-Amino-3-[2,3-di(butanoyloxy)propoxy-hydroxyphosphoryl]oxypropanoic acid
C14H26NO10P (399.12942660000004)
2-Amino-3-[hydroxy-(2-hydroxy-3-nonanoyloxypropoxy)phosphoryl]oxypropanoic acid
2-Amino-3-[hydroxy-(2-pentanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxypropanoic acid
C14H26NO10P (399.12942660000004)
3-[(3-Acetyloxy-2-hexanoyloxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid
C14H26NO10P (399.12942660000004)
Narcotoline
C21H21NO7 (399.13179560000003)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetic acid
S-Adenosyl-L-methionine
A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.
(R)-S-adenosyl-L-methionine
An S-adenosyl-L-methionine that has R-configuration.
OXMETIDINE
C19H21N5O3S (399.1365036000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
S-adenosyl-L-methionine zwitterion
A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.
(R)-S-adenosyl-L-methionine zwitterion
An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.
(S)-S-adenosyl-L-methionine zwitterion
An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.
7-TFA-ap-7-Deaza-dA
C16H16F3N5O4 (399.11543320000004)
7-TFA-ap-7-Deaza-dA is a modified nucleoside. 7-TFA-ap-7-Deaza-dA can be used in the synthesis of deoxyribonucleic acid or nucleic acid. 7-TFA-ap-7-Deaza-dA is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
AB-MECA
C18H21N7O4 (399.16549460000005)
AB-MECA is a high affinity A3 adenosine receptor agonist with a binding Ki of 430.5 nM for human A3 receptors in CHO cells. AB-MECA can enhance plasma histamine level[1][2][3][4].
PF-06795071
PF-06795071 is a potent and selective covalent MAGL inhibitor with an IC50 of 3 nM[1].
Ro 363 (hydrochloride)
Ro 363 hydrochloride, an effective inotropic stimulant, is a potent and highly selective β1-adrenoceptor agonist. Ro 363 hydrochloride is a cardiovascular modulator that reduces diastolic blood pressure and pronounces increases in myocardial contractility[1][2][3].
6-[4-({[ethoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate
(2r)-1-({5,6-dihydroxy-2-methyl-4,8,9-trioxocyclohexa[g]chromen-7-yl}methyl)pyrrolidine-2-carboxylic acid
3-{[3-({3-[(4-hydroxyphenyl)methanethioamido]-1-sulfanylpropylidene}amino)-1-sulfanylpropylidene]amino}propanoic acid
(2s)-2-amino-4-{[(1r)-2-({[(r)-(2r)-2-amino-2-carboxyethanesulfinyl]methyl}sulfanyl)-1-carboxyethyl]-c-hydroxycarbonimidoyl}butanoic acid
methyl (12s)-16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate
C21H21NO7 (399.13179560000003)
3,4-bis(1h-indol-3-yl)-5-(methoxycarbonyl)-1h-pyrrole-2-carboxylic acid
bisindolylpyrrole cpb-53-594-3
{"Ingredient_id": "HBIN018624","Ingredient_name": "bisindolylpyrrole cpb-53-594-3","Alias": "NA","Ingredient_formula": "C23H17N3O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2473","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-2-{[hydroxy(4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)methylidene]amino}-3-methylbutanoic acid
(3s)-7-hydroxy-6-methoxy-3-[(5r)-4-methoxy-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3h-2-benzofuran-1-one
C21H21NO7 (399.13179560000003)
8-hydroxy-6',7,7'-trimethoxy-2'-methyl-3',4'-dihydrospiro[2-benzopyran-3,1'-isoquinoline]-1,4-dione
C21H21NO7 (399.13179560000003)
{10-[(6-hydroxy-2-oxo-5h-pyrimidin-4-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl}oxidanesulfonic acid
C15H21N5O6S (399.12124860000006)
2-amino-4-[(2-{[(2-amino-2-carboxyethanesulfinyl)methyl]sulfanyl}-1-carboxyethyl)-c-hydroxycarbonimidoyl]butanoic acid
(2s,5s,6s,9r,10s,13r,14s)-23-hydroxy-5-methyl-3-oxa-20-thia-18-azahexacyclo[14.7.0.0²,⁹.0⁶,¹⁰.0⁹,¹⁴.0¹⁷,²¹]tricosa-1(23),16,18,21-tetraene-13-carboxylic acid
C22H25NO4S (399.15042100000005)
(2s,5s)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid
2-{[hydroxy(4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)methylidene]amino}-3-methylbutanoic acid
23-hydroxy-5-methyl-3-oxa-20-thia-18-azahexacyclo[14.7.0.0²,⁹.0⁶,¹⁰.0⁹,¹⁴.0¹⁷,²¹]tricosa-1(23),16,18,21-tetraene-13-carboxylic acid
C22H25NO4S (399.15042100000005)
10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}(hydroxy)methyl)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H21NO7 (399.13179560000003)
(10s)-10-[(r)-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}(hydroxy)methyl]-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H21NO7 (399.13179560000003)
(2r,3r,4s,5s,6r)-2-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminoacetate
(2s,3r,4s,5r,6s)-6-[4-({[ethoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl acetate
(2s,5r)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid
6,11-dihydroxy-2,2,5-trimethyl-12-phenyl-1-oxa-5-azatetraphen-10-one
C25H21NO4 (399.14705060000006)