Exact Mass: 403.049
Exact Mass Matches: 403.049
Found 108 metabolites which its exact mass value is equals to given mass value 403.049,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ochratoxin A
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
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
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
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
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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
N,N-Dimethyl-3,4-dihydro-1-acetyl-1,6,7-trimethoxy-8-(methyldithio)-1H-2-benzothiopyran-5-amine
Ochratoxin A
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)
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
2-Benzofurancarboxamide,3,6-dimethyl-N-(tetrahydro-1,1-dioxido-3-thienyl)-N-(2-thienylmethyl)-(9CI)
Methyl (4-{[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy}-2-methyl phenoxy)acetate
2-CHLORO-4-(4-METHYLTHIOPHEN-2-YL)-7-TOSYL-7H-PYRROLO[2,3-D]PYRIMIDINE
6-amino-4-(2-bromophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
N-Benzothiazol-2-ylsulfanyl-N-tert-butyl-benzothiazole-2-sulfenamide
Lesinurad
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
4-(3-BROMO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
MRS 1220
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
3-(2-BROMO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Cobalt,bis[[2,3-butanedione di(oximato-kN)](1-)]chloro(pyridine)-, (OC-6-42)-
Cyanomethyl 2,3,4,6-Tetra-O-acetyl-1-thio--D-galactopyranoside
4-(2-BROMO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Bis(trifluoromethylsulfonyl)azanide,1-methyl-3-prop-2-enylimidazol-1-ium
3-[[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl]ethylamino]propiononitrile
2,2,2-trichloroethyl 3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-ylcarbamate
ETHYL 4-(CHLOROSULFONYL)-2-METHYL-1,5-DIPHENYL-1H-PYRROLE-3-CARBOXYLATE
[(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)thio]acetonitrile
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
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
2-[(2,4-Dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid
(r)-3,4-Dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
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
2-(3,4-Dihydroxyphenyl)-8-(1,1-Dioxidoisothiazolidin-2-Yl)-3-Hydroxy-6-Methyl-4h-Chromen-4-One
3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfo-D-galactose
[(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
(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
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
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
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
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
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
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
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
Zwitterionic form 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate having an anionic phosphate group and a protonated nitrogen.
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"}
