Exact Mass: 403.04899580000006
Exact Mass Matches: 403.04899580000006
Found 108 metabolites which its exact mass value is equals to given mass value 403.04899580000006,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
CDP
C9H15N3O11P2 (403.01818199999997)
Cytidine diphosphate, abbreviated CDP, and also known as 5-CDP, belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety. It is a cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. CDP exists in all living species, ranging from bacteria to humans. In humans, CDP is involved in cardiolipin biosynthesis. Outside of the human body, CDP has been detected, but not quantified in several different foods, such as carobs, mexican oregano, evergreen huckleberries, green vegetables, and pepper (Capsicum baccatum). Cytidine 5-(trihydrogen diphosphate). A cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. Synonyms: CRPP; cytidine pyrophosphate. [HMDB]. CDP is found in many foods, some of which are sweet cherry, hard wheat, roman camomile, and ginseng. Acquisition and generation of the data is financially supported in part by CREST/JST.
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.
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)
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
C9H15N3O11P2 (403.01818199999997)
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)
Cytidine diphosphate
C9H15N3O11P2 (403.01818199999997)
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
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)
2-CHLORO-4-(4-METHYLTHIOPHEN-2-YL)-7-TOSYL-7H-PYRROLO[2,3-D]PYRIMIDINE
C18H14ClN3O2S2 (403.02159340000003)
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
Lesinurad
C17H14BrN3O2S (402.99900440000005)
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AB - Preparations increasing uric acid excretion D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C26170 - Protective Agent > C921 - Uricosuric Agent
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].
sodium,2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate,iron(3+),hydrate
C10H16FeN2NaO10 (403.00520059999997)
3-(2-BROMO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H22BrNO4S (403.0452832000001)
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)
Bis(trifluoromethylsulfonyl)azanide,1-methyl-3-prop-2-enylimidazol-1-ium
C9H11F6N3O4S2 (403.00951580000003)
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)
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)
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)
2-[(2,4-Dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid
C18H11Cl2N3O4 (403.01265860000007)
(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)
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)
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)
2-(3,4-Dihydroxyphenyl)-8-(1,1-Dioxidoisothiazolidin-2-Yl)-3-Hydroxy-6-Methyl-4h-Chromen-4-One
C19H17NO7S (403.07256920000003)
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)
1-(3-Chloro-4-propan-2-ylsulfonyl-2-thiophenyl)-3-(3-nitrophenyl)urea
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
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
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
2-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
C18H14ClN3O4S (403.0393514000001)
1-(4-Phenylphenyl)-2-(3-thiophen-2-yl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl)ethanone
(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)
methyl {[2-chloro-4-fluoro-5-(1-oxo-3-sulfanylidenetetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl)phenyl]sulfanyl}acetate
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.
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.
CDP
C9H15N3O11P2 (403.01818199999997)
A pyrimidine ribonucleoside 5-diphosphate having cytosine as the nucleobase.
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].
[(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino]oxysulfonic acid
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
[(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
[(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
(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)
[(e)-(5-oxo-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxysulfonic acid
(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)
