Exact Mass: 463.1058

Exact Mass Matches: 463.1058

Found 238 metabolites which its exact mass value is equals to given mass value 463.1058, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Adenylsuccinic acid

(2S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid

C14H18N5O11P (463.074)

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 (463.1004)

Acquisition and generation of the data is financially supported by the Max-Planck-Society

Peonidin-3-glucoside

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

[C22H23O11]+ (463.124)

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

1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate

C14H26NO14P (463.1091)

L 735821

(E)-3-(2,4-dichlorophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]prop-2-enamide

C25H19Cl2N3O2 (463.0854)

D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators

Pinotin A aglycone

7-(3,4-dihydroxyphenyl)-4,11-dihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C25H19O9 (463.1029)

Pinotin A aglycone is a polyphenol compound found in foods of plant origin (PMID: 20428313)

Isopeonidin 3-galactoside

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C22H23O11+ (463.124)

Isopeonidin 3-galactoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

Isopeonidin 3-glucoside

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C22H23O11+ (463.124)

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

[(3S)-1-Azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-(4-iodophenyl)-2-phenylacetic acid

C21H22INO3 (463.0644)

Adenylosuccinic acid

2-[(9-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-9H-purin-6-yl)amino]butanedioic acid

C14H18N5O11P (463.074)

Glutamate nitrogen

bis(5-amino-4,8-dioxo-1,3,2-dioxazocan-2-yl) 2-aminopentanedioate

C15H21N5O12 (463.1187)

Malvidin 3-arabinoside

3-{[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1λ⁴-chromen-1-ylium

C22H23O11 (463.124)

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

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

C22H23O11 (463.124)

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

({[8-(methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}octylidene]amino}oxy)sulphonic acid

C15H29NO9S3 (463.1004)

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

5,7-Dihydroxy-2- (4-hydroxy-3-methoxyphenyl) -3- (beta-D-galactopyranosyloxy) -1-benzopyrylium

C22H23O11 (463.124)

Glochidacuminoside D

C21H21NO11 (463.1115)

5-Methylcyanidin 3-glucoside

3,7,3,4-Tetrahydroxy-5-methylflavylium 3-glucoside

C22H23O11 (463.124)

Petunidin 3-rhamnoside

C22H23O11 (463.124)

Malvidin 3-arabinoside

3- (beta-D-Arabinofuranosyloxy) -5,7-dihydroxy-2- (4-hydroxy-3,5-dimethoxyphenyl) -1-benzopyrylium

C22H23O11 (463.124)

Pulchellidin 3-rhamnoside

C22H23O11 (463.124)

6-Methylthio-3-oxohexyl glucosinolate

C14H25NO10S3 (463.0641)

Glucopeonidin

5,7-Dihydroxy-2- (4-hydroxy-3-methoxyphenyl) -3- (beta-D-glucopyranosyloxy) -1-benzopyrylium

C22H23O11+ (463.124)

O1-Benzoyl-2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridyl]methoxy}phenyl)ethanehydroximamide

C22H17ClF3N3O3 (463.091)

(S)-Phenyl-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-acetonitril|(S)-phenyl-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-acetonitrile|sambunigrin tetraacetate

C22H25NO10 (463.1478)

Thr Asp Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]butanedioic acid