User Survey Request
Sorry for the interruption!
We hope that this free tool has been helpful for you and your research program. It is part of TMIC’s mission to provide enabling technologies to the Canadian and international metabolomics communities, but we need your help. In order to meet our reporting requirements to our major funders, the Canada Foundation for Innovation and Genome Canada, we’d really appreciate it if you could fill out the survey link below - it should take less than five minutes of your time, and will help us continue to provide this service for free to the community.
Search Results for metabolites
Searching metabolites for 591-50-4 returned 73001 results.
HMDB0033390
25317-10-6
4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxy-7-sulfonaphthalene-2-sulfonate
Matched synonyms: … FOOD green 4 ... (5-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-6-oxo-7-sulfO ... N-[4-[[4-(dimethylamino)Phenyl](2-hydroxy-3,6-disulfO-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene …
Matched name: … Acid Green 50 …
Matched iupac: … 4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxy-7-sulfonaphthalene …
Matched description: … Acid Green 50 is a food colourant. Prohibited in Japan, Canada, USA, Norway, Sweden and Finland. …
Matched name: … Acid Green 50 …
Matched iupac: … 4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxy-7-sulfonaphthalene …
Matched description: … Acid Green 50 is a food colourant. Prohibited in Japan, Canada, USA, Norway, Sweden and Finland. …
HMDB0039392
263336-54-5
(29Z)-16-[(1Z)-3,4-dihydroxybut-1-en-1-yl]-43,44,49,54,58-pentamethyl-2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxaspiro[dodecacyclo[30.28.0.0³,²⁷.0⁶,²⁵.0⁸,²².0¹⁰,²⁰.0¹²,¹⁸.0³⁴,⁵⁸.0³⁶,⁵⁶.0³⁸,⁵².0⁴⁰,⁵⁰.0⁴²,⁴⁷]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-19,43,48,59-tetrol
Matched synonyms: … 54-Deoxy-50-hydroxyciguatoxin, 9ci …
Matched name: … 54-Deoxy-50-hydroxyciguatoxin …
Matched description: … 54-Deoxy-50-hydroxyciguatoxin is found in fishes. 54-Deoxy-50-hydroxyciguatoxin is isolated from fish …
Matched name: … 54-Deoxy-50-hydroxyciguatoxin …
Matched description: … 54-Deoxy-50-hydroxyciguatoxin is found in fishes. 54-Deoxy-50-hydroxyciguatoxin is isolated from fish …
HMDB0035706
432-24-6
2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde
Matched description: … alpha-Cyclocitral is a 50:50 mixture with 2,6,6-Trimethyl-1-cyclohexene-1-carboxaldehyde NFQ78-Y< …
HMDB0000496
52002-41-2
Blood Urine
(2S,3S,4S,5R,6S)-6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Matched synonyms: … 3-Methoxy-4-hydroxyphenylglycol glucuronide ... (2S,3S,4S,5R,6S)-6-[4-(1,2-Dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate …
Matched name: … 3-Methoxy-4-hydroxyphenylglycol glucuronide …
Matched iupac: … (2S,3S,4S,5R,6S)-6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid …
Matched description: … It has been determined that 25-50% of it is derived from brain norepinephrine. ... 3-Methoxy-4-hydroxyphenylglycol (HMPG) glucuronide is the main form of HMPG in human urine. …
Matched name: … 3-Methoxy-4-hydroxyphenylglycol glucuronide …
Matched iupac: … (2S,3S,4S,5R,6S)-6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid …
Matched description: … It has been determined that 25-50% of it is derived from brain norepinephrine. ... 3-Methoxy-4-hydroxyphenylglycol (HMPG) glucuronide is the main form of HMPG in human urine. …
HMDB0001112
591-57-1
Blood Cellular Cytoplasm Urine
[(2R)-2-hydroxy-3-oxopropoxy]phosphonic acid
Matched description: … Glyceraldehyde 3-phosphate (G3P) (CAS: 591-59-3), also known as triose phosphate, belongs to the class …
HMDB0000751
1932596-80-9
Blood Cerebrospinal Fluid (CSF) Feces Urine
(2S,3R,4S)-2-(hydroxymethyl)oxolane-2,3,4-triol
Matched description: … L-Xylulose (CAS: 527-50-4), also known as L-threo-2-pentulose, is a ketopentose - a monosaccharide containing …
HMDB0041856
2921-88-2
O,O-diethyl O-3,5,6-trichloropyridin-2-yl phosphorothioate
Matched description: … The 4-hour inhalation LC50 for chlorpyrifos in rats is greater than 200 mg/m3. ... which is attributable to the nearly 50% lower smoking rate found among farm workers. ... Among 50 farm pesticides studied, chlorpyrifos was one of two found to be associated with higher risks …
HMDB0041011
432-25-7
Feces Urine
2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
Matched description: … many other plant materials. beta-Cyclocitral is produced by Microcystis species beta-Cyclocitral is a 50 ... :50 mixture with 2,6,6-Trimethyl-2-cyclohexene-1-carboxaldehyde JQM42-W is used as a flavouring …
HMDB0040717
110042-95-0
4-(acetyloxy)-3-{[4-(acetyloxy)-5-{[4-(acetyloxy)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[4-(acetyloxy)-6-[(6-{[4-(acetyloxy)-6-{[4-(acetyloxy)-6-{[4-(acetyloxy)-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxyoxane-2-carboxylic acid
Matched synonyms: … 4-(Acetyloxy)-3-{[4-(acetyloxy)-5-{[4-(acetyloxy)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy} ... -3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[4-(acetyloxy)-6-[(6-{[4-(acetyloxy)-6-{[4-(acetyloxy)- ... alpha-D-Galacto-beta-D-mannan, (1-4),(1-6)-, acetate …
Matched iupac: … 4-(acetyloxy)-3-{[4-(acetyloxy)-5-{[4-(acetyloxy)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy} ... -3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[4-(acetyloxy)-6-[(6-{[4-(acetyloxy)-6-{[4-(acetyloxy)- ... 6-{[4-(acetyloxy)-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan ... -3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl …
Matched description: … This polymer is hydrophilic: 50 hydrogen bond acceptors, 19 hydrogen bond donors and logP of -3.27. ... permeability (and hence bioavailability) has been scored to be 1 according to Lipinsky s rule of five (4) …
Matched iupac: … 4-(acetyloxy)-3-{[4-(acetyloxy)-5-{[4-(acetyloxy)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy} ... -3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[4-(acetyloxy)-6-[(6-{[4-(acetyloxy)-6-{[4-(acetyloxy)- ... 6-{[4-(acetyloxy)-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan ... -3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl …
Matched description: … This polymer is hydrophilic: 50 hydrogen bond acceptors, 19 hydrogen bond donors and logP of -3.27. ... permeability (and hence bioavailability) has been scored to be 1 according to Lipinsky s rule of five (4) …
HMDB0001538
501-81-5
Blood
2-(pyridin-3-yl)acetic acid
Matched description: … oxo-4-(3-pyridyl)butyric acid (50-60%) (PMID:16079272). 3-pyridylacetatic acid is an analog of nicotinic ... It is formed from 4-(3-pyridyl)-butanoate. ... major metabolites of myosmine metabolism have been identified as 3-pyridylacetic acid (20-26%) and 4- …
HMDB0029919
17606-72-3
1,3,4,6-tetrahydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-one
Matched synonyms: … 4-O-a-D-Glucopyranosyl-D-fructose, 9ci ... 4-O-alpha-D-Glucopyranosyl-D-fructose …
Matched description: … Non-cariogenic sweetening agent with approximately 40-50% of the sweetening power of sucrose. …
Matched description: … Non-cariogenic sweetening agent with approximately 40-50% of the sweetening power of sucrose. …
3-[(2R,15S,17S)-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]-3-oxopropanoic acid
Matched synonyms: … 11b,20-Dihydroxy-3-oxopregn-4-en-21-Oate ... 11Β,20-dihydroxy-3-oxopregn-4-en-21-Oate ... 11b,20-Dihydroxy-3-oxopregn-4-en-21-Oic acid …
Matched name: … 11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid …
Matched description: … DHOPA has also been identified as a biomarker that is elevated (50 X) in animals that have been treated ... 11b,20-dihydroxy-3-oxopregn-4-en-21-oic acid or DHOPA is a major metabolite of corticosterone that is ... corticosterone to DHOPA is thought to proceed via the aldehyde intermediate 11b-hydroxy-3,20-dioxopregn-4- …
Matched name: … 11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid …
Matched description: … DHOPA has also been identified as a biomarker that is elevated (50 X) in animals that have been treated ... 11b,20-dihydroxy-3-oxopregn-4-en-21-oic acid or DHOPA is a major metabolite of corticosterone that is ... corticosterone to DHOPA is thought to proceed via the aldehyde intermediate 11b-hydroxy-3,20-dioxopregn-4- …
HMDB0002349
3588-17-8
Blood Feces Urine
(2E,4E)-hexa-2,4-dienedioic acid
Matched description: … acid thereby indicating that a typical dietary intake of 6-30 mg/day of sorbic acid accounts for 10-50% ... , and for 5-25% in smokers (PMID: 8021961, 1487326, 9137998, Int Arch Occup Environ Health. 1997;69(4) …
HMDB0005010
79617-96-2
Blood Urine
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Matched synonyms: … (1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine …
Matched iupac: … (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine …
Matched description: … The minimum effective dose is usually 50 mg per day (it can be still effective at 25 mg or 37.5 mg), ... Patients who do not experience relief of symptoms at 50 mg a day may have their dose increased, up to …
Matched iupac: … (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine …
Matched description: … The minimum effective dose is usually 50 mg per day (it can be still effective at 25 mg or 37.5 mg), ... Patients who do not experience relief of symptoms at 50 mg a day may have their dose increased, up to …
HMDB0006078
25887-39-2
Blood Urine
3-[(4-azaniumylbutyl)amino]propanoic acid
Matched synonyms: … N-(4-Aminobutyl)-beta-alanine ... N-(4-Aminobutyl)-3-aminopropionic acid ... 3-[(4-Azaniumylbutyl)amino]propanoate …
Matched iupac: … 3-[(4-azaniumylbutyl)amino]propanoic acid …
Matched description: … and b-alanine and is therefore named putreanine.This amino acid can be synthesized by condensation of 4- ... concentration increases for several months.The concentration of this amino acid in mammalian brain is roughly 50 …
Matched iupac: … 3-[(4-azaniumylbutyl)amino]propanoic acid …
Matched description: … and b-alanine and is therefore named putreanine.This amino acid can be synthesized by condensation of 4- ... concentration increases for several months.The concentration of this amino acid in mammalian brain is roughly 50 …
HMDB0014977
1156-19-0
Blood Urine
1-(azepan-1-yl)-3-(4-methylbenzenesulfonyl)urea
Matched synonyms: … CCRIS 591 ... 4-(p-Tolylsulfonyl)-1,1-hexamethylenesemicarbazide ... 4-(p-Tolylsulphonyl)-1,1-hexamethylenesemicarbazide …
Matched iupac: … 1-(azepan-1-yl)-3-(4-methylbenzenesulfonyl)urea …
Matched iupac: … 1-(azepan-1-yl)-3-(4-methylbenzenesulfonyl)urea …
HMDB0036587
76-78-8
4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-4,14-diene-3,11,16-trione
Matched description: … It is the bitterest substance found in nature with a bitter threshold of 0.08ppm and it is 50 times more …
6-amino-2-{[2-({2-[(2-{[2-({2-[({7-[(6-amino-2-{[2-({2-[({21-[(6-amino-2-{[(10-{[(15-{[(2Z)-2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-en-1-ylidene]amino}-12-(butan-2-yl)-5,8,11,14-tetrahydroxy-9-methylidene-6-(2-methylpropyl)-1-thia-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-3-yl)(hydroxy)methylidene]amino}-1,4-dihydroxy-9-methyl-11-oxo-3H,6H,7H,9H,10H,11H,13H,14H,15H,15aH-pyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-5,8,11,14,17,20-hexahydroxy-15,22-dimethyl-12-(2-methylpropyl)-9-[2-(methylsulfanyl)ethyl]-1-thia-4,7,10,13,16,19-hexaazacyclodocosa-4,7,10,13,16,19-hexaen-3-yl}(hydroxy)methylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-1-hydroxyhexylidene)amino]-3,6,12,15,21-pentahydroxy-14-[(1H-imidazol-5-yl)methyl]-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosa-2,5,12,15,21-pentaen-17-yl}(hydroxy)methylidene)amino]-1,3-dihydroxypropylidene}amino)-1-hydroxy-3-methylpentylidene]amino}-1-hydroxy-3-(1H-imidazol-5-yl)propylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-1-hydroxyprop-2-en-1-ylidene]amino}hexanoic acid
Matched synonyms: … hexaen-3-yl}(hydroxy)methylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4- ... hexaen-3-yl}(hydroxy)methylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4- ... hexaen-3-yl}(hydroxy)methylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4- …
Matched iupac: … hexaen-3-yl}(hydroxy)methylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4- …
Matched description: … It has been used for over 50 years commercially as a food preservative without any evidence of bacterial …
Matched iupac: … hexaen-3-yl}(hydroxy)methylidene)amino]-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxy-4- …
Matched description: … It has been used for over 50 years commercially as a food preservative without any evidence of bacterial …
HMDB0000403
3373-53-3
Urine
6-amino-7H-purin-2-ol
Matched description: … (Recent Research Developments in Biochemistry (2000)2:41-50). …
HMDB0006612
96656-34-7
Breast Milk
N-[(1R,2R,3R,4R,6R)-6-{[(2R,3R,4R,5R,6R)-4-{[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-2-yl]peroxy}-4-(hydroxymethyl)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]acetamide
Matched synonyms: … O-6-Deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2- ... -(1->6)-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)]-O-beta-delta-galactopyranosyl-(1->4) ... )amino]-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2 …
Matched iupac: … N-[(1R,2R,3R,4R,6R)-6-{[(2R,3R,4R,5R,6R)-4-{[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4- ... -yl]oxy}-3,5-dihydroxy-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-2-yl]peroxy}-4- …
Matched description: … Approximately 40% to 50% of the total ingested oligosaccharides can be found in feces of breast-fed infants …
Matched iupac: … N-[(1R,2R,3R,4R,6R)-6-{[(2R,3R,4R,5R,6R)-4-{[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4- ... -yl]oxy}-3,5-dihydroxy-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-2-yl]peroxy}-4- …
Matched description: … Approximately 40% to 50% of the total ingested oligosaccharides can be found in feces of breast-fed infants …
Blood Urine
(2S,3S,4S,5R,6S)-6-[2,6-bis(propan-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Matched description: … Propofol is approved for use in more than 50 countries, and generic versions are available. …
HMDB0015160
68302-57-8
Blood Urine
2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
Matched description: … ulcer (RAU) is the most prevalent oral mucosal disease in humans, estimated to affect between 5% and 50% …
HMDB0015576
52-24-4
Blood Urine
tris(aziridin-1-yl)-λ⁵-phosphanethione
Matched description: … triethylenethiophosphoramide (ThioTEPA) is a cancer chemotherapeutic member of the alkylating agent group, now in use for over 50 …
Blood Urine
(14S,15R)-14-ethynyl-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-triene-5,14-diol
Matched description: … prodrug of ethinylestradiol to which it is demethylated in the liver with a conversion efficiency of 70% (50 …
HMDB0015564
154-21-2
Blood Urine
(4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
Matched iupac: … (1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-1-methyl-4- …
Matched description: … [PubChem]Lincomycin inhibits protein synthesis in susceptible bacteria by binding to the 50 S subunits …
Matched description: … [PubChem]Lincomycin inhibits protein synthesis in susceptible bacteria by binding to the 50 S subunits …