Exact Mass: 403.074399
Exact Mass Matches: 403.074399
Found 166 metabolites which its exact mass value is equals to given mass value 403.074399,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Azoxystrobin
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8790; ORIGINAL_PRECURSOR_SCAN_NO 8788 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8782; ORIGINAL_PRECURSOR_SCAN_NO 8780 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8831; ORIGINAL_PRECURSOR_SCAN_NO 8830 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8824; ORIGINAL_PRECURSOR_SCAN_NO 8823 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8802; ORIGINAL_PRECURSOR_SCAN_NO 8800 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8822; ORIGINAL_PRECURSOR_SCAN_NO 8821 EAWAG_UCHEM_ID 89; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 89 CONFIDENCE standard compound; INTERNAL_ID 4022 CONFIDENCE standard compound; INTERNAL_ID 8405 CONFIDENCE standard compound; INTERNAL_ID 3245
Ochratoxin A
C20H18ClNO6 (403.08225980000003)
Ochratoxin A is found in barley. Mycotoxin. Ochratoxin A is produced by Aspergillus melleus, Aspergillus sulphureus and Penicillium viridicatum.Potential contaminant of foodstuffs, especially cereals. Ochratoxin A is found in stored grain products in UK (1997).Ochratoxin A, a toxin produced by Aspergillus ochraceus and Penicillium verrucosum, is one of the most abundant food-contaminating mycotoxins in the world. Human exposure occurs mainly through consumption of improperly stored food products, particularly contaminated grain and pork products, as well as coffee, wine grapes and dried grapes. The toxin has been found in the tissues and organs of animals, including human blood and breast milk. Ochratoxin A toxicity has large species- and sex-specific differences Mycotoxin. Production by Aspergillus melleus, Aspergillus sulphureus and Penicillium viridicatum.Potential contaminant of foodstuffs, especially cereals. Found in stored grain products in UK (1997) D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D000077264 - Calcium-Regulating Hormones and Agents D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators
Propinol adenylate
Propinol adenylate is involved in the propanoate metabolism pathway. Propinol adenylate can be reversibly produced from propanoate or propanoyl-CoA by acetyl-CoA synthetase [EC:6.2.1.1] and propionyl-CoA synthetase [EC:6.2.1.17]. [HMDB] Propinol adenylate is involved in the propanoate metabolism pathway. Propinol adenylate can be reversibly produced from propanoate or propanoyl-CoA by acetyl-CoA synthetase [EC:6.2.1.1] and propionyl-CoA synthetase [EC:6.2.1.17].
Phthalylsulfathiazole
C17H13N3O5S2 (403.02966080000004)
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013432 - Sulfathiazoles D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate
C12H22NO12P (403.08795820000006)
A myo-inositol cyclic phosphate that is 1D-myo-inositol 1,2-cyclic phosphate having an alpha-D-glucosaminyl residue attached at the 6-position.
4-Methylpentyl glucosinolate
4-Methylpentyl glucosinolate is found in brassicas. 4-Methylpentyl glucosinolate is present in radish (Raphanus sativus). Present in radish (Raphanus sativus). 4-Methylpentyl glucosinolate is found in brassicas and radish.
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside
Constituent of wheat and sweet corn (Zea mays). 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in cereals and cereal products and fats and oils. 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in cereals and cereal products. It is a constituent of wheat and sweet corn (Zea mays).
Hexyl glucosinolate
N-hexyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. N-hexyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). N-hexyl glucosinolate can be found in radish, which makes N-hexyl glucosinolate a potential biomarker for the consumption of this food product. Hexyl glucosinolate is found in brassicas. Hexyl glucosinolate is present in radish (Raphanus sativus) and in kohlrabi aroma.
3-Methylpentyl glucosinolate
Constituent of Raphanus sativus (radish) and Wasabia japonica (Japanese horseradish). 3-Methylpentyl glucosinolate is found in many foods, some of which are brassicas, wasabi, radish, and root vegetables. 3-Methylpentyl glucosinolate is found in brassicas. 3-Methylpentyl glucosinolate is a constituent of Raphanus sativus (radish) and Wasabia japonica (Japanese horseradish)
(R)N-(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)phenylalanine
C20H18ClNO6 (403.08225980000003)
Alpidem
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Cetefloxacin
C20H16F3N3O3 (403.11437020000005)
Pelargonidin 3-arabinoside
Pelargonidin 3-arabinoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-arabinoside can be found in a number of food items such as gooseberry, strawberry, black elderberry, and blackcurrant, which makes pelargonidin 3-arabinoside a potential biomarker for the consumption of these food products.
Gluconapoleiferin
Gluconapoleiferin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Gluconapoleiferin is soluble (in water) and an extremely strong acidic compound (based on its pKa). Gluconapoleiferin can be found in a number of food items such as swede, broccoli, chinese cabbage, and turnip, which makes gluconapoleiferin a potential biomarker for the consumption of these food products.
(Z)-N-((E)-3-bromo-4-methoxystyryl)-3-(4-hydroxyphenyl)-2-methoxyacrylamide|Botryllamide C|Monodebromo-Botryllamide A
C19H18BrNO4 (403.04191280000003)
N,N-Dimethyl-3,4-dihydro-1-acetyl-1,6,7-trimethoxy-8-(methyldithio)-1H-2-benzothiopyran-5-amine
C17H25NO4S3 (403.09456500000005)
Ochratoxin A
C20H18ClNO6 (403.08225980000003)
A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum. D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D000077264 - Calcium-Regulating Hormones and Agents D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 5966 CONFIDENCE Reference Standard (Level 1)
cladoniamide C
An organic heterohexacyclic compound that is cladoniamide B in which both of the chlorines are replaced by hydrogen. It has been isolated from the culture broth of Streptomyces uncialis.
Gluconapoleiferin
A hydroxy-alkenylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 4-hydroxy-6-[(sulfooxy)imino]hex-1-en-6-yl group at the anomeric sulfur.
4-Methylpentyl glucosinolate
Annotation level-3
3-Methylpentyl glucosinolate
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside
Hexyl glucosinolate
3-(3-BROMO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H22BrNO4S (403.0452832000001)
2-Benzofurancarboxamide,3,6-dimethyl-N-(tetrahydro-1,1-dioxido-3-thienyl)-N-(2-thienylmethyl)-(9CI)
C20H21NO4S2 (403.09119460000005)
Methyl (4-{[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy}-2-methyl phenoxy)acetate
C20H18ClNO4S (403.0645018000001)
6-amino-4-(2-bromophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
C20H14BrN5 (403.04325040000003)
N-Benzothiazol-2-ylsulfanyl-N-tert-butyl-benzothiazole-2-sulfenamide
3-(2-aminoethyl)-1H-indole-5,7-diol,2-amino-3-methyl-4H-imidazol-5-one,sulfuric acid
C14H21N5O7S (403.11616360000005)
2-(5,6-dihydroxy-1H-indol-3-yl)ethylazanium,(3-methyl-5-oxo-4H-imidazol-2-yl)azanium,sulfate
C14H21N5O7S (403.11616360000005)
S-(α-Fluorobenzyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine
6-amino-4-(4-bromophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
C20H14BrN5 (403.04325040000003)
4-(3-BROMO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H22BrNO4S (403.0452832000001)
MRS 1220
C21H14ClN5O2 (403.08359740000003)
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists MRS1220, a highly potent and selective human A3 adenosine receptor (hA3AR) antagonist with a Ki of 0.59 nM, has therapeutic potential for the research of diseases of the central nervous system[1]. MRS1220 reduces glioblastoma tumor size and blood vessel formation in vivo[2].
3-(2-BROMO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H22BrNO4S (403.0452832000001)
5-Chloro-3-(tributylstannyl)pyridine
C17H30ClNSn (403.10886400000004)
3-hydroxy-4-[4-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-methoxyphenyl)-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,5-dien-1-one
Cobalt,bis[[2,3-butanedione di(oximato-kN)](1-)]chloro(pyridine)-, (OC-6-42)-
C13H19ClCoN5O4 (403.04574840000004)
Cyanomethyl 2,3,4,6-Tetra-O-acetyl-1-thio--D-galactopyranoside
C16H21NO9S (403.09369760000004)
4-(2-BROMO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H22BrNO4S (403.0452832000001)
1-BOC-4-(4-BROMOBENZENESULFONYL)PIPERIDINE
C16H22BrNO4S (403.0452832000001)
3-[[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl]ethylamino]propiononitrile
C18H15Cl2N5S (403.04251700000003)
2,2,2-trichloroethyl 3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-ylcarbamate
C17H20Cl3N3O2 (403.06210300000004)
ETHYL 4-(CHLOROSULFONYL)-2-METHYL-1,5-DIPHENYL-1H-PYRROLE-3-CARBOXYLATE
C20H18ClNO4S (403.0645018000001)
[(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)thio]acetonitrile
C16H21NO9S (403.09369760000004)
tributyl-(6-chloropyridin-2-yl)stannane
C17H30ClNSn (403.10886400000004)
1-(3-ACETYLPHENYL)-3-(1-(3,4-DICHLOROBENZYL)-1H-1,2,4-TRIAZOL-3-YL)UREA
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl azide
methyl (1Z)-N-[[diethoxyphosphinothioyl(propan-2-yl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
C12H26N3O4PS3 (403.08230060000005)
l-arginine 7-amido-4-methylcoumarin dihydrochloride
(2S,4R)-Methyl 1-benzoyl-4-(tosylo×y)pyrrolidine-2-carbo×ylate
C20H21NO6S (403.10895260000007)
3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-D-GLUCOPYRANOSYL BROMIDE
1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one,dihydrochloride
C17H17Cl3FN3O (403.04211740000005)
(r)-3,4-Dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
C14H17N3O5S3 (403.03303120000004)
beta-D-xylopyranoside, 4-nitrophenyl 4-O-beta-D-xylopyranosyl-
2-[2-[4-(2-Fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
C19H18FN3O4S (403.1002000000001)
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
C16H22ClN3O5S (403.09686320000003)
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
C18H17ClF3NO4 (403.07981480000007)
6-(2-Furanyl)-4-[4-(methanesulfonamido)phenyl]-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester
C20H21NO6S (403.10895260000007)
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide
(s)-3,4-Dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
C14H17N3O5S3 (403.03303120000004)
R-2-{[4-Methoxy-(1,1-biphenyl)-4-YL]-sulfonyl}-amino-6-methoxy-hex-4-ynoic acid
C20H21NO6S (403.10895260000007)
2-(3,4-Dihydroxyphenyl)-8-(1,1-Dioxidoisothiazolidin-2-Yl)-3-Hydroxy-6-Methyl-4h-Chromen-4-One
C19H17NO7S (403.07256920000003)
2-[(1r)-2-Carboxy-1-(Naphthalen-1-Ylmethyl)ethyl]-1,3-Dioxo-2,3-Dihydro-1h-Isoindole-5-Carboxylic Acid
alpidem
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
5-(4-chlorophenyl)-1-hydroxy-2,2-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-yl dihydrogen phosphate
2-Glutathionyl-2-methylbut-3-enoate
C15H21N3O8S-2 (403.10493060000005)
3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfo-D-galactose
C12H19O13S- (403.05463440000005)
[(3R,4R,5S,6R)-2-[[(3aS,4R,5S,6S,7R,7aR)-5,6,7-trihydroxy-2-oxido-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
C12H22NO12P (403.08795820000006)
(3aS,4R,5S,6S,7R,7aR)-4-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-5,6,7-triol
C12H22NO12P (403.08795820000006)
3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)chromenylium-5,7-diol
C20H19O9+ (403.10290240000006)
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine
4-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide
C22H17N3O3S (403.09905720000006)
6-Bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester
C18H18BrN3O3 (403.05314580000004)
1-S-[3-hydroxy-N-(sulfonatooxy)hex-5-enimidoyl]-1-thio-beta-D-glucopyranose
2-methyl-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide
C19H21N3O5S (403.12018560000007)
2-(1H-benzimidazol-2-ylthio)-N-(2-methoxy-3-dibenzofuranyl)acetamide
C22H17N3O3S (403.09905720000006)
(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(3-nitrophenyl)acrylamide
C19H21N3O5S (403.12018560000007)
1-[[4-(3-Thiophenyl)phenyl]methyl]-5-(trifluoromethoxy)indole-2,3-dione
C20H12F3NO3S (403.04899580000006)
N-(2-bromophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
[4-Methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
C16H17N7O4S (403.10626820000004)
2-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
C18H14ClN3O4S (403.0393514000001)
4a-dehydroxycrinamabine Trifluoroacetic acid
C18H20F3NO6 (403.12426560000006)
A natural product found in Crinum asiaticum var. sinicum.
methyl 2-[[2-(2-hydroxybenzoyl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
C20H21NO6S (403.10895260000007)
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea
1-(4-Phenylphenyl)-2-(3-thiophen-2-yl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl)ethanone
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
C19H21N3O5S (403.12018560000007)
(3aS,4R,5S,6S,7R,7aR)-4-[(2-azaniumyl-2-deoxy-alpha-D-glucopyranosyl)oxy]-5,6,7-trihydroxyhexahydro-1,3,2-benzodioxaphosphol-2-olate 2-oxide
C12H22NO12P (403.08795820000006)
(R)-4-phosphopantetheine sulfonate
C11H20N2O10PS-3 (403.0576250000001)
4,5-Dihydrooxazol-5-one, 4-[4-benzyloxy-2-fluoro-5-methoxybenzylidene]-
1-Thio-beta-D-glucopyranose 1-(3-hydroxy-N-(sulfooxy)-5-hexenimidate)
phthalylsulfathiazole
C17H13N3O5S2 (403.02966080000004)
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013432 - Sulfathiazoles D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
propanoyl-AMP
A purine ribonucleoside 5-monophosphate consisting of adenosine 5-monophosphate where one of the hydroxy groups of the phosphate has been condensed with propionic acid.
hapten OTAf
C20H18ClNO6 (403.08225980000003)
A synthetic phenylalanine derivative consisting of a 1:1 diatereoisomeric mixture of ochratoxin A and its isochromenyl C-3 epimer.
secoxyloganin(1-)
A dicarboxylic acid monoester(1-) that is the conjugate base of secoxyloganin, resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion
C12H22NO12P (403.08795820000006)
Zwitterionic form 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate having an anionic phosphate group and a protonated nitrogen.
AK-1
C19H21N3O5S (403.12018560000007)
AK-1 is a potent, specific and cell-permeable SIRT2 inhibitor, with an IC50 of 12.5 μM.
GlyRS-IN-1
GlyRS-IN-1 is a glycyl-tRNA synthase (GlyRS) inhibitor extracted from patent WO 2017066459 A1. GlyRS-IN-1 can also inhibit the growth of bacteria[1].
methyl 4'-chloro-1-methyl-2h-8',13'-diazaspiro[indole-3,10'-tetracyclo[7.6.0.0²,⁷.0¹¹,¹⁵]pentadecane]-1'(9'),2',4',6',11',14'-hexaene-12'-carboxylate
11,15-dihydroxy-23-methoxy-13-methyl-3,13,16-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(23),2(10),4,6,8,17,19,21-octaene-12,14-dione
[(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino]oxysulfonic acid
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
[C20H19O9]+ (403.10290240000006)
2-hydroxypent-4-enylglucosinate
{"Ingredient_id": "HBIN005820","Ingredient_name": "2-hydroxypent-4-enylglucosinate","Alias": "NA","Ingredient_formula": "C12H21NO10S2","Ingredient_Smile": "C=CCC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10597","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[(e)-[(3r)-3-hydroxy-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]hex-5-en-1-ylidene]amino]oxysulfonic acid
n-[2-(3-bromo-4-methoxyphenyl)ethenyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
C19H18BrNO4 (403.04191280000003)
[(z)-[(3s)-3-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene]amino]oxysulfonic acid
(1s,13s,15s)-6,7-dichloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
[C20H19O9]+ (403.10290240000006)
[(e)-(3-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino]oxysulfonic acid
3-{[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium
[C20H19O9]+ (403.10290240000006)
(2r)-4-hydroxy-7,8-dimethoxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,4-benzoxazin-3-one
(2s,3r,6s,11r)-14-bromo-3-isopropyl-6,11,15-trimethyl-12-oxa-10-azatetracyclo[7.7.1.0²,⁶.0¹³,¹⁷]heptadeca-1(17),9,13,15-tetraen-8-one
C21H26BrNO2 (403.11467960000004)
[(z)-[(3s)-3-hydroxy-1-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene]amino]oxysulfonic acid
(7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-(hydroxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C15H21N3O8S (403.10493060000005)
(z,2e)-n-[(1e)-2-(3-bromo-4-methoxyphenyl)ethenyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enimidic acid
C19H18BrNO4 (403.04191280000003)
1-[5-(dimethylamino)-1,6,7-trimethoxy-8-(methyldisulfanyl)-3,4-dihydro-2-benzothiopyran-1-yl]ethanone
C17H25NO4S3 (403.09456500000005)
14-bromo-3-isopropyl-6,11,15-trimethyl-12-oxa-10-azatetracyclo[7.7.1.0²,⁶.0¹³,¹⁷]heptadeca-1(17),9,13,15-tetraen-8-one
C21H26BrNO2 (403.11467960000004)
[(e)-(5-oxo-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxysulfonic acid
methyl 5-chloro-1-methyl-2h-8',13'-diazaspiro[indole-3,10'-tetracyclo[7.6.0.0²,⁷.0¹¹,¹⁵]pentadecane]-1'(9'),2',4',6',11',14'-hexaene-12'-carboxylate
6,7-dichloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
(6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-(hydroxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C15H21N3O8S (403.10493060000005)
(e,2z)-n-[(1e)-2-(3-bromo-4-methoxyphenyl)ethenyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enimidic acid
C19H18BrNO4 (403.04191280000003)
[(e)-[(3s)-3-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene]amino]oxysulfonic acid
(2s)-2-({[(3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl](hydroxy)methylidene}amino)-3-phenylpropanoic acid
C20H18ClNO6 (403.08225980000003)