Exact Mass: 454.0828

Exact Mass Matches: 454.0828

Found 38 metabolites which its exact mass value is equals to given mass value 454.0828, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

SAICAR

(2S)-2-({5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-4-yl}formamido)butanedioic acid

C13H19N4O12P (454.0737)


SAICAR, also known as succinylaminoimidazolecarboxamide ribotide or phosphoribosylaminoimidazolesuccinocarboxamide, is a substrate for the multifunctional protein ADE2. SAICAR is an intermediate in purine metabolism. SAICAR is converted from 5-aminoimidazole-4-carboxyribonucleotide (CAIR) via phosphoribosylaminoimidazolesuccinocarboxamide synthetase (EC: 6.3.2.6) or SAICAR synthase. This enzyme catalyzes the eighth step in the biosynthesis of purine nucleotides. SAICAR (a ribotide) can lose its phosphate group leading to the appearance of a riboside known as succinylaminoimidazolecarboxamide riboside (SAICAriboside) in cerebrospinal fluid, in urine, and, to a lesser extent, in plasma. This particular riboside (called SAICAr) is characteristic of a heritable deficiency known as adenylosuccinate lyase deficiency (ADSL). On the other hand, the ribotide (SAICAR) is generally harmless and is an essential intermediate in purine metabolism. When present in sufficiently high levels, SAICAR can act as an oncometabolite. An oncometabolite is a compound that promotes tumour growth and survival. As an oncometabolite, high levels of SAICAR stimulate pyruvate kinase isoform M2 and promote cancer cell survival in glucose-limited conditions such as aerobic glycolysis (PMID: 23086999). SAICAR (or (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate) is a substrate for the multifunctional protein ADE2. SAICAR is an intermediate in purine metabolism. (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate is converted from 5-Amino-1-(5-phospho-D-ribosyl) imidazole-4-carboxylate via phosphoribosylaminoimidazole-succinocarboxamide synthase [EC: 6.3.2.6] or SAICAR synthase. This enzyme catalyses the seventh step out of ten in the biosynthesis of purine nucleotides. The appearance of succinylaminoimidazolecarboxamide riboside (SAICAriboside) and succinyladenosine (S-Ado) in cerebrospinal fluid, urine, and to a lesser extent in plasma is characteristic of a heritable deficiency Adenylosuccinate lyase deficiency. [HMDB]. SAICAR is found in many foods, some of which are sweet potato, black chokeberry, common wheat, and globe artichoke. SAICAR. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3031-95-6 (retrieved 2024-08-20) (CAS RN: 3031-95-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

CHLOROCYCLINONE A

CHLOROCYCLINONE A

C24H19ClO7 (454.0819)


   

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-

C23H18O10 (454.09)


   

7-O-galloyl-(+)-catechin

7-O-galloyl-(+)-catechin

C23H18O10 (454.09)


   

1,4-di-O-galloyl-beta-D-xylopyranose

1,4-di-O-galloyl-beta-D-xylopyranose

C19H18O13 (454.0747)


   

Swerpunilactone B

Swerpunilactone B

C23H18O10 (454.09)


   

Oprea1_465736

Oprea1_465736

C23H18O10 (454.09)


   
   

Kaempferol tetraacetate

Flavone, 3,4,5,7-tetrahydroxy-, tetraacetate (7CI,8CI); 3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)phenyl]-4H-1-benzopyran-4-one

C23H18O10 (454.09)


   

Scutellarein tetraacetate

4,5,6,7-Tetrahydroxyflavone tetraacetate

C23H18O10 (454.09)


   

7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-5-yl acetate

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-

C23H18O10 (454.09)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.188 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.193

   

Cys Cys Asp Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]butanedioic acid

C14H22N4O9S2 (454.0828)


   

Cys Asp Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]butanedioic acid

C14H22N4O9S2 (454.0828)


   

Cys Asp Asp Cys

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C14H22N4O9S2 (454.0828)


   

Asp Cys Cys Asp

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanedioic acid

C14H22N4O9S2 (454.0828)


   

Asp Cys Asp Cys

(3S)-3-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C14H22N4O9S2 (454.0828)


   

Asp Asp Cys Cys

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C14H22N4O9S2 (454.0828)


   

5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole

5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole

C13H19N4O12P (454.0737)


   

(R)-(-)-4-FLUOROSTYRENEOXIDE

(R)-(-)-4-FLUOROSTYRENEOXIDE

C26H23FeO2P (454.0785)


   

3-[(4-Methyl-3-nitrophenyl)sulfonyl]-2-(2,4,5-trimethoxyphenyl)-1 ,3-thiazolidine

3-[(4-Methyl-3-nitrophenyl)sulfonyl]-2-(2,4,5-trimethoxyphenyl)-1 ,3-thiazolidine

C19H22N2O7S2 (454.0868)


   
   

Quinolinium,1-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-, iodide (1:1)

Quinolinium,1-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-, iodide (1:1)

C23H23IN2 (454.0906)


   

1,1-Diethyl-2,2-cyanine iodide

1,1-Diethyl-2,2-cyanine iodide

C23H23IN2 (454.0906)


   

1,1′-Diethyl-4,4′-cyanine iodide

1,1′-Diethyl-4,4′-cyanine iodide

C23H23IN2 (454.0906)


   

TRI-P-TOLYLSULFONIUM TRIFLATE

TRI-P-TOLYLSULFONIUM TRIFLATE

C22H21F3O3S2 (454.0884)


   

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine

C19H22N2O7S2 (454.0868)


   

8-Amino-8-demethylriboflavin 5-phosphate

8-Amino-8-demethylriboflavin 5-phosphate

C16H17N5O9P-3 (454.0764)


   

(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid

(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid

C13H19N4O12P (454.0737)


   

2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide

2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide

C19H17F3N4O4S (454.0923)


   

7-[(3-Bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione

7-[(3-Bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione

C20H19BrN6O2 (454.0753)


   

4,5,6,7-Tetrahydroxyflavone tetraacetate

Flavone, 4,5,6,7-tetrahydroxy-, tetraacetate

C23H18O10 (454.09)


   

Hexaacetoxytropone

Hexaacetoxytropone

C19H18O13 (454.0747)


   

SAICAR

SAICAR

C13H19N4O12P (454.0737)


A 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid with the amino group of L-aspartic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate

7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate

C23H18O10 (454.09)


   

(3r,4r,5r,6s)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

(3r,4r,5r,6s)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C19H18O13 (454.0747)


   

methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

C24H19ClO7 (454.0819)


   

(6s,7r)-7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate

(6s,7r)-7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate

C23H18O10 (454.09)


   

(2s)-2-[({5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}(hydroxy)methylidene)amino]butanedioic acid

(2s)-2-[({5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}(hydroxy)methylidene)amino]butanedioic acid

C13H19N4O12P (454.0737)