Exact Mass: 529.1663
Exact Mass Matches: 529.1663
Found 310 metabolites which its exact mass value is equals to given mass value 529.1663,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
daunomycinol
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent The (13S)-diastereomer of 13-dihydrodaunorubicin. An aminoglycoside antibiotic that is (1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene having a 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl residue attached at position 1 via a glycosidic linkage.
dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose
A pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose as the sugar component.
Nilotinib
Nilotinib, also known as AMN107, is a tyrosine kinase inhibitor under investigation as a possible treatment for chronic myelogenous leukemia (CML). In June 2006, a Phase I clinical trial found nilotinib has a relatively favorable safety profile and shows activity in cases of CML resistant to treatment with imatinib (Gleevec®), another tyrosine kinase inhibitor currently used as a first-line treatment. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor
O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose
O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose is a milk oligosaccharide alditol derived from mucin glycoprotein detected with High-performance anion exchange-chromatography. (PMID: 1799211). This oligosaccharide alditol is also found in purified human bronchial mucins. (PMID: 1337867) This O-glycan is present in normal human mucins along the intestinal tract. (PMID: 15361072). O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose is a milk oligosaccharide alditol derived from mucin glycoprotein detected with High-performance anion exchange-chromatography. (PMID: 1799211)
Lewis X trisaccharide
Lewis X trisaccharide is a common oligosaccharide involved in the terminal glycosylation of oligosaccharide chains of glycoconjugates and as such play a major role in the antigenic properties of cell surfaces and in the changing carbohydrates profiles that occur on cell maturation and in malignancy. Lewis X present in human milk can bind to DC-specific ICAM3-grabbing non-integrin and thereby prevent the capture and subsequent transfer of HIV-1 to CD4+ T lymphocytes. The presence of such a DC-specific ICAM3-grabbing non-integrin-binding molecule in human milk may both influence antigenic presentation and interfere with pathogen transfer in breastfed infants. Lewis X is a promising urine marker for bladder cancer surveillance in urothelial cell carcinoma patients. (PMID: 11278542; 11300757; 15184372; 15242599; 15845541; 16239964; 16773661; 9490204, 16217395) [HMDB] Lewis X trisaccharide is a common oligosaccharide involved in the terminal glycosylation of oligosaccharide chains of glycoconjugates and as such play a major role in the antigenic properties of cell surfaces and in the changing carbohydrates profiles that occur on cell maturation and in malignancy. Lewis X present in human milk can bind to DC-specific ICAM3-grabbing non-integrin and thereby prevent the capture and subsequent transfer of HIV-1 to CD4+ T lymphocytes. The presence of such a DC-specific ICAM3-grabbing non-integrin-binding molecule in human milk may both influence antigenic presentation and interfere with pathogen transfer in breastfed infants. Lewis X is a promising urine marker for bladder cancer surveillance in urothelial cell carcinoma patients. (PMID: 11278542; 11300757; 15184372; 15242599; 15845541; 16239964; 16773661; 9490204, 16217395).
Lewis a trisaccharide
Lewis a trisaccharide is a fucosyloligosaccharide present in human milk and colostrum. Human colostrum is known to be important for the protection of infants against infection by pathogenic microorganisms. This protection is thought to be due, partially, to various neutral and acidic oligosaccharides that are present in colostrum and milk. Moderate-to-severe diarrhea of all causes occurs less often in infants whose milk contains high levels of total 2-linked fucosyloligosaccharides as a percent of milk oligosaccharide. The trisaccharide Lewis a trisaccharide is identical with the structure for the specific determinant in Lea substance, and strongly inhibits the agglutination of Lea erythrocytes by a human anti-Lea serum. (PMID: 15343178, 17375110, 12568665, 2503806; 3809884; 6809837; 6880139; 7701811; 8662894; 8914840; 8943285) [HMDB] Lewis a trisaccharide is a fucosyloligosaccharide present in human milk and colostrum. Human colostrum is known to be important for the protection of infants against infection by pathogenic microorganisms. This protection is thought to be due, partially, to various neutral and acidic oligosaccharides that are present in colostrum and milk. Moderate-to-severe diarrhea of all causes occurs less often in infants whose milk contains high levels of total 2-linked fucosyloligosaccharides as a percent of milk oligosaccharide. The trisaccharide Lewis a trisaccharide is identical with the structure for the specific determinant in Lea substance, and strongly inhibits the agglutination of Lea erythrocytes by a human anti-Lea serum. (PMID: 15343178, 17375110, 12568665, 2503806; 3809884; 6809837; 6880139; 7701811; 8662894; 8914840; 8943285).
Gluten exorphin B4
Gluten exorphin B4 is a tetrapeptide with the sequence Tyr-Gly-Gly-Trp. Gluten exorphins are a group of opioid peptides which are formed during digestion of the gluten protein. It has been hypothesized that people with autism and schizophrenia have abnormal leakage from the gut of these compounds, which then pass into the brain and disrupt brain function. This is partly the basis for the gluten-free, casein-free diet. The scientific evidence for this diet and its effects is still disputed.
Bosutinib
Bosutinib is a Bcr-Abl kinase inhibitor for the treatment of Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML). Compared to other tyrosine kinase inhibitors, it has a more favourable hematologic toxicity profile. FDA approved on September 4, 2012 (DB06616). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
13-Dihydrodaunorubicin
5,12-Naphthacenedione, 10-((4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-
alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp
a-Trisaccharide
Galbeta1-3(Fucalpha1-4)GlcNAcbeta
Globo-H
H Type II trisaccharide
N-((2'R)-2'-Deoxy-2'-fluoro-2'-methyl-p-phenyl-5'-uridylyl)-L-alanine 1-methylethyl ester
Komodoquinone A
An anthracycline that is komodoquinone B in which the hydroxy group at position 1 is replaced by a 3,6-dideoxy-3-(dimethylamino)-alpha-L-galactopyranoside group. First isolated from the marine bacterium Streptomyces sp. KS3, it induces neuronal cell differentiation in the neuroblastoma cell line.
2-(7-methyl-2,4-dioxo-10-D-ribitol-1-yl-2,3,4,10-tetrahydro-benzo[g]pteridin-8-ylmethyl)-histidine|SD-Riboflavin (8-alpha-(N-Histidyl)-Riboflavin)
(Z)-N6-(5-(3-((1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-2-methoxy-3-oxoprop-1-en-1-yl)-2-hydroxybenzoyl)lysine
3-(8-methyl-2,4-dioxo-10-D-ribitol-1-yl-2,3,4,10-tetrahydro-benzo[g]pteridin-7-ylmethyl)-histidine|8alpha-(N1-His)Riboflavin|8alpha-[5-(2-amino-2-carboxy-ethyl)-imidazol-1-yl]-riboflavin
Nilotinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3588
Cys Asp His Arg
Cys Asp Arg His
Cys Phe Phe Asn
Cys Phe Asn Phe
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Glu His Met Asn
Glu His Asn Met
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Glu Asn Met His
Phe Cys Phe Asn
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Gly His Met Trp
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His Asn Glu Met
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O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose
Lewis X
Lea tri
Sofosbuvir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AP - Antivirals for treatment of hcv infections COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Sofosbuvir (GS-7977) is an HCV RNA replication inhibitor with an EC50 of 92 nM[1].
(+)-(3r,4r)-bis(diphenylphosphino)-1-benzylpyrrolidine
Azimilide dihydrochloride
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
5-O-(isopropyl-L-alanate,phenyl-phosphoramidyl)-2-deoxy-2-fluoro-2-C-methyl-uridine
(Z)-2-(2-Boc-aminothiazole-4-yl-)-2-trityloxyiminoacetic acid
N-[[P(S),2R]-2-Deoxy-2-fluoro-2-methyl-P-phenyl-3-uridylyl]-L-alanine 1-methylethyl ester
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-(2-hydroxy-5-oxopyrrolidin-1-yl)quinoline-3-carbonitrile
(2R)-1-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene
(2S)-1-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene
O-6-Deoxy-beta-L-galactopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-D-glucose
2,3,6-Trideoxy-3-[[(2-propenyloxy)carbonyl]amino]-alpha-L-lyxo-hexopyranose 1,4-bis(4-nitrobenzoate)
13-Deoxydoxorubicin
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Vecabrutinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163774 - BTK-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranose
1-Cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
bosutinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp
alpha-[4-[(S)-2-Amino-2-carboxyethyl]-1H-imidazol-1-yl]riboflavin
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4,5,6-trihydroxy-1-oxo-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxyoxan-3-yl]acetamide
7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosamine
3-Phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester
N-[(2S,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
N-[(2S,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-3-deoxy-N-acetyl-D-glucosamine
alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-6-deoxy-N-acetyl-D-glucosamine
3-deoxy-alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-NHAc
6-deoxy-alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosylamine
4-deoxy-alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-NHAc
beta-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp
N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
N-[(2R,4aR,12aR)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
N-[(2S,4aR,12aS)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
(1S)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1-phenylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]-1,2-dicarboxamide
[(1R)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]-(3-fluorophenyl)methanone
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[oxo(3-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
N-[(2R,4aR,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
[(1S)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]-(3-fluorophenyl)methanone
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[oxo(3-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
methyl 3-({2-[(2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate
A tripartite compound comprising an alpha-D-Gal unit linked to beta-D-GlcNAc, which is in turn linked to a CETE (2-[(2-carbomethoxyethylthio)]ethyl; 2-{[2-(methoxycarbonyl)ethylsulfanyl]}ethyl) moiety.
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
GR 89696
GR 89696 is a highly selective κ2 opioid receptor agonist with potential to prevent pruritus[1].
Ipatasertib (dihydrochloride)
Ipatasertib dihydrochloride (GDC-0068 dihydrochloride) is a highly selective and ATP-competitive pan-Akt inhibitor with IC50s of 5, 18 and 8 nM for Akt1, Akt2 and Akt3, respectively.
JNJ-18038683
JNJ-18038683 is a 5-Hydroxytryptamine Type 7 (5-HT7) receptor antagonist, with pKis of 8.19, 8.20 for rat and human 5-HT7 in HEK293 cells, respectively.
