Exact Mass: 463.0854254
Exact Mass Matches: 463.0854254
Found 166 metabolites which its exact mass value is equals to given mass value 463.0854254,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Adenylsuccinic acid
Adenylsuccinic acid, also known as adenylosuccinate, succinyladenosine or aspartyl adenylate, belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. Adenylsuccinic acid is found in all living organisms, ranging from bacteria to plants to animals. Adenylsuccinic acid is an important intermediate in the de novo purine biosynthesis pathway. Specifically, adenylsuccinic acid is an intermediate in the interconversion of purine nucleotides inosine monophosphate (IMP) and adenosine monophosphate (AMP). The enzyme adenylosuccinate synthase carries out the reaction by the addition of aspartate to IMP. This reaction requires the input of energy from a phosphoanhydride bond in the form of guanosine triphosphate (GTP). Adenylsuccinic acid is a substrate least one other important metabolic reaction in purine biosynthesis. In particular, adenylsuccinic acid can be converted into fumaric acid through its interaction with the enzyme known as adenylosuccinate lyase (or adenylosuccinase). Adenylosuccinate lyase deficiency, is a rare autosomal recessive metabolic disorder characterized by the appearance of succinylaminoimidazolecarboxamide riboside (SAICA riboside) and adenylsuccinic acid in cerebrospinal fluid and urine (PMID: 8412002). Adenylosuccinate lyase deficiency presents with varying degrees of psychomotor retardation, autism, muscle wasting, and epilepsy. The exact cause of the symptoms is unknown, but possibilities include not enough purine nucleotide synthesis for cell replication, malfunctioning of the purine nucleotide cycle, and a buildup of substrates to toxic levels. Adenylsuccinic acid is a substrate of the enzyme adenylosuccinase [EC 4.3.2.2] in purine metabolism pathway. The accumulation of adenylsuccinic acid in body fluids occurs due to a deficiency of adenylosuccinase. (KEGG; PMID 8412002) [HMDB] D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids KEIO_ID A037; [MS2] KO008839 KEIO_ID A037; [MS3] KO008840 KEIO_ID A037
7-Methylthioheptyl glucosinolate
C15H29NO9S3 (463.10043840000003)
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Peonidin-3-glucoside
Peonidin-3-glucoside has been proposed by Wu et al. [PMID: 12097661] to be a secondary metabolite of cyanidin-3-glucoside which may be methylated by liver enzymes during phase II metabolism. Peonidin 3-glucoside is isolated from grapes and many other plant spp. It is found in red wine, common wheat, and lowbush blueberry. Acquisition and generation of the data is financially supported in part by CREST/JST.
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate
L 735821
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
Pinotin A aglycone
Pinotin A aglycone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Isopeonidin 3-galactoside
Isopeonidin 3-galactoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Isopeonidin 3-glucoside
Isopeonidin 3-glucoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
[(3S)-1-Azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-(4-iodophenyl)-2-phenylacetate
C21H22INO3 (463.06443720000004)
Adenylosuccinic acid
Glutamate nitrogen
C15H21N5O12 (463.11866660000004)
Malvidin 3-arabinoside
Malvidin 3-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-arabinoside can be found in a number of food items such as sweet cherry, lingonberry, red raspberry, and american cranberry, which makes malvidin 3-arabinoside a potential biomarker for the consumption of these food products.
Peonidin 3-galactoside
Peonidin 3-galactoside 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. Peonidin 3-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Peonidin 3-galactoside can be found in a number of food items such as mango, red raspberry, rubus (blackberry, raspberry), and bilberry, which makes peonidin 3-galactoside a potential biomarker for the consumption of these food products.
7-methylthioheptyl glucosinolate
C15H29NO9S3 (463.10043840000003)
7-methylthioheptyl 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. 7-methylthioheptyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 7-methylthioheptyl glucosinolate can be found in a number of food items such as macadamia nut (m. tetraphylla), annual wild rice, herbs and spices, and horseradish tree, which makes 7-methylthioheptyl glucosinolate a potential biomarker for the consumption of these food products.
Peonidin galactoside
Malvidin 3-arabinoside
Glucopeonidin
O1-Benzoyl-2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridyl]methoxy}phenyl)ethanehydroximamide
C22H17ClF3N3O3 (463.09104780000007)
Peonidin-3-O-beta-galactopyranoside
Acquisition and generation of the data is financially supported in part by CREST/JST.
(Methylsulfanyl)heptyl glucosinolate
C15H29NO9S3 (463.10043840000003)
Annotation level-3
Chondritinsulfate
C13H21NO15S (463.06318760000005)
Pinotin A aglycone
Isopeonidin 3-galactoside
Isopeonidin 3-glucoside
Moricizine hydrochloride
C22H26ClN3O4S (463.1332466000001)
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
4-Nitrophenyl 2-O-α-D-Glucopyranosyl-α-D-glucopyranoside
2-METHOXYETHYL 2-(5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROPHENOXY)PROPANOATE
C19H17ClF3NO7 (463.06455980000004)
N-(5-chloro-2-methylphenyl)-4-[(5-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide
Amodiaquin dihydrochloride dihydrate
C20H22ClN3O .2H2O .2HCl (463.1196148)
Setileuton
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
4-Nitrophenyl 6-O-(a-D-glucopyranosyl)-b-D-glucopyranoside
5-[4-benzoyl-2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]phenoxy]sulfonyl-2-diazonionaphthalen-1-olate
2(1H)-QUINOLINETHIONE, 7-[4-[4-(2,3-DICHLOROPHENYL)-1-PIPERAZINYL]BUTOXY]-3,4-DIHYDRO-
C23H27Cl2N3OS (463.12517920000005)
4-Nitrophenyl2-O-(a-D-mannopyranosyl)-a-D-mannopyranoside
4-Iodo-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzeneethanamine hydrochloride
C18H23ClINO3 (463.04111480000006)
2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylanilino]ethyl acetate
C20H19Cl2N5O4 (463.08140340000006)
4-Nitrophenyl 2-O-(b-D-glucopyranosyl)-b-D-glucopyranoside
ETHYL 5-(2,4-BIS(BENZYLOXY)-5-CHLOROPHENYL)ISOXAZOLE-3-CARBOXYLATE
C26H22ClNO5 (463.11864320000007)
[2-[(2-chlorophenyl)carbamoyl]-4-(2,4-difluorophenyl)phenyl] benzoate
C26H16ClF2NO3 (463.0786720000001)
[2-[(3-chlorophenyl)carbamoyl]-4-(2,4-difluorophenyl)phenyl] benzoate
C26H16ClF2NO3 (463.0786720000001)
[2-[(4-chlorophenyl)carbamoyl]-4-(2,4-difluorophenyl)phenyl] benzoate
C26H16ClF2NO3 (463.0786720000001)
N-(4-chloro-2-methylphenyl)-4-[(4-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide
4-Nitrophenyl3-O-(b-D-glucopyranosyl)-b-D-glucopyranoside
4-nitrophenyl 3-o-(a-d-mannopyranosyl)-a-d-mannopyranoside
2-(3-BroMo-biphenyl-3-yl)-4,6-diphenyl-[1,3,5]triazine
2-(3-bromobiphenyl-4-yl)-4,6-diphenyl-1,3,5-triazine
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranuronosyloxy)-5,7-dihydroxy-1-benzopyrylium
C21H19O12 (463.08764740000004)
beta-D-Mannopyranosyl azide 3,4,6-triacetate 2-(1,1,1-trifluoromethanesulfonate)
CHONDROITIN SULFATE SHARK CARTILAGE(RG)
C13H21NO15S (463.06318760000005)
1-(diaminomethylidene)-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea; 2,4,6-trinitrophenol
3-[[(2,4-Dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester
FM19G11 is a hypoxia-inducible factor-1-alpha (HIF-1α) inhibitor, and it inhibits hypoxia-induced luciferase activity with an IC50 of 80 nM in HeLa cells. FM19G11 modulates other signaling pathways, including mTOR and PI3K/Akt/eNOS, when the HIF-1α pathway is inactivated under normoxic conditions[1][2].
N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)-4-(1-pyrrolidinylsulfonyl)benzamide
C24H21N3O5S (463.12018560000007)
[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
2-Methylthio-N6-isopentenyl-adenosine-5-monophosphate
C16H26N5O7PS (463.12904960000003)
Amodiaquin dihydrochloride dihydrate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Peonidin 3-galactoside
Peonidin 3-galactoside 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. Peonidin 3-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Peonidin 3-galactoside can be found in a number of food items such as mango, red raspberry, rubus (blackberry, raspberry), and bilberry, which makes peonidin 3-galactoside a potential biomarker for the consumption of these food products.
Aspartyl adenylate
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
1-S-[2-(4-hydroxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-olate
C21H19O12- (463.08764740000004)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-8-methylsulfanyl-N-sulfooxyoctanimidothioate
C15H29NO9S3 (463.10043840000003)
(4S,4aS,5aS,6S,12aR)-2-carbamoyl-7-chloro-4-(dimethylazaniumyl)-6,10,12a-trihydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-1,11-diolate
bis(5-amino-4,8-dioxo-1,3,2-dioxazocan-2-yl) 2-aminopentanedioate
C15H21N5O12 (463.11866660000004)
3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-5,7-diol
7-[[1-Amino-2-(2-amino-1,3-thiazol-5-yl)-2-methoxyethylidene]amino]-3-[(1-methylpyrrol-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
4-[(7-Chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;hydron;dichloride;dihydrate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
3-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenoxy]-N-methylbenzamide
C22H17ClF3N3O3 (463.09104780000007)
4-(3-{2-[(ethoxycarbonyl)amino]-10H-phenothiazin-10-yl}-3-oxopropyl)morpholin-4-ium chloride
C22H26ClN3O4S (463.1332466000001)
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
beta-D-Galp6S-(1->4)-beta-D-GlcpNAc
An amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 6-O-sulfo-beta-D-galactosyl residue attached at position 4.
2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide
2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
beta-D-Galp3S-(1->3-)-beta-D-GlcpNAc
An amino disaccharide composed of 3-sulfated beta-D-galactose and N-acetyl-beta-D-glucosaminyl residues in beta-(1->3) linkage.
9-(3-bromo-4-hydroxyphenyl)-10-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
C25H22BrNO3 (463.07829620000007)
N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide
C21H16F3N3O4S (463.08135720000007)
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide
C25H22ClN3O4 (463.12987620000007)
2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamide
C25H22ClN3O2S (463.11211820000005)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
beta-D-Galp3S-(1->3-)-alpha-D-GalpNAc
An amino disaccharide composed of 3-sulfated beta-D-galactose and N-acetyl-alpha-D-galactosaminyl residues in beta-(1->3) linkage.
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
4-amino-N-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
beta-D-Galp3S-(1->4)-beta-D-GlcpNAc
An amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 3-sulfated beta-D-galactosyl residue attached at position 4.
beta-D-Galp4S-(1->4)-beta-D-GlcpNAc
An amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 4-O-sulfo-beta-D-galactosyl residue attached at position 4.
2-acetamido-2-deoxy-3-O-(6-O-sulfo-beta-D-glucosyl)-beta-D-galactose
An amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a 6-O-sulfo-beta-D-glucosyl residue attached at the 3-position.
6-(N-acetyl-D-glucosaminyl-1-phosphono)-D-mannose
A mannose phosphate that is D-mannose phosphorylated at position 6 by a N-acetyl-D-glucosaminyl-1-phosphono group. Found in the milk of giant pandas.
3,4,5-Trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxychromenylium-2-yl)phenoxy]oxane-2-carboxylic acid
C21H19O12+ (463.08764740000004)
6-[2-(3,4-Dihydroxyphenyl)-3,5-dihydroxychromenylium-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C21H19O12+ (463.08764740000004)
delphinidin 3-O-beta-D-galactoside(1-)
C21H19O12- (463.08764740000004)
(E)-3-(2,4-dichlorophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]prop-2-enamide
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
N(6)-(1,2-dicarboxyethyl)-AMP
The N(6)-(1,2-dicarboxyethyl) derivative of adenosine 5-monophosphate.
myricitrin(1-)
C21H19O12 (463.08764740000004)
A flavonoid oxoanion that is the conjugate base of myricitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
4-nitrophenyl beta-sophoroside
A disaccharide derivative consisting of 4-nitrophenyl beta-D-glucoside having a beta-D-glucosyl residue attached at the 2-position.
quercetin 3-O-beta-D-glucopyranoside(1-)
C21H19O12 (463.08764740000004)
A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of quercetin. The major species at pH 7.3.
Peonidin 3-O-beta-D-glucoside
An anthocyanin cation that is the 3-O-beta-D-glucoside of peonidin (methylcyanidin).
4-hydroxyglucobrassicin(1-)
An indolylmethylglucosinolate that is the conjugate base of 4-hydroxyglucobrassicin.
CD73-IN-4
CD73-IN-4 is a potent and selective methylenephosphonic acid CD73 inhibitor, with an IC50 of 2.6 nM for human CD73. CD73-IN-4 is potential for the research of cancer immunology[1].
6-({2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(sulfooxy)oxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H21NO15S (463.06318760000005)
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
{[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino}oxysulfonic acid
C15H29NO9S3 (463.10043840000003)
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2s,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
(2s,3s,4s,5r,6r)-6-{[(2r,3r,4r,5r,6r)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
C13H21NO15S (463.06318760000005)
2-[cyano(4-hydroxyphenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
(2r,3r,4s,5s,6r)-2-[(s)-cyano(4-hydroxyphenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
1-carboxy-4-(4,5-dihydroxy-1-oxidoquinolin-1-ium-2-yl)-3,6-dihydroxy-5-oxo-5h-5λ⁵-phenazin-5-ylium-10-olate
[(e)-[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino]oxysulfonic acid
C15H29NO9S3 (463.10043840000003)
