Exact Mass: 454.0480098
Exact Mass Matches: 454.0480098
Found 105 metabolites which its exact mass value is equals to given mass value 454.0480098,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cefazolin
C14H14N8O4S3 (454.03001240000003)
Cefazolin is only found in individuals that have used or taken this drug. It is a semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine. [PubChem]In vitro tests demonstrate that the bactericidal action of cephalosporins results from inhibition of cell wall synthesis. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1045
SAICAR
C13H19N4O12P (454.07370640000005)
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).
Sitaxentan
Sitaxentan is only found in individuals that have used or taken this drug. Sitaxentan is a competitive antagonist of endothelin-1 at the endothelin-A (ET-A) and endothelin-B (ET-B) receptors. Under normal conditions, endothelin-1 binding of ET-A or ET-B receptors causes pulmonary vasoconstriction. By blocking this interaction, Sitaxentan decreases pulmonary vascular resistance. Sitaxentan has a higher affinity for ET-A than ET-B. C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists
(6S,7R)-3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C14H14N8O4S3 (454.03001240000003)
n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide
C18H13ClF6N2O3 (454.0518850000001)
4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-
2-O-Sulfate-[1,1:3,1-Terphenyl]-2,2,2,4,4,4,6,66-nonol,9CI
C18H14O12S (454.02059640000004)
CCG-1423
C18H13ClF6N2O3 (454.0518850000001)
CCG-1423 is an inhibitor of Rho/MRTF/SRF pathway. CCG-1423 shows activities in several cancer cells. CCG-1423 is a promising lead compound for the development of novel pharmacologic tools, and it can be used for the research of cancer and diabetes[1][2][3].
Kaempferol tetraacetate
Cyanidin 3-arabinoside
Cyanidin 3-arabinoside is a member of flavonoids and a glycoside. Cyanidin 3-arabinoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=27214-72-8 (retrieved 2024-09-27) (CAS RN: 27214-72-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Cefazolin
C14H14N8O4S3 (454.03001240000003)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins A cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1045 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3663
7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-5-yl acetate
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
C14H22N4O9S2 (454.08281619999997)
Cys Asp Cys Asp
C14H22N4O9S2 (454.08281619999997)
Cys Asp Asp Cys
C14H22N4O9S2 (454.08281619999997)
Asp Cys Cys Asp
C14H22N4O9S2 (454.08281619999997)
Asp Cys Asp Cys
C14H22N4O9S2 (454.08281619999997)
Asp Asp Cys Cys
C14H22N4O9S2 (454.08281619999997)
5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole
C13H19N4O12P (454.07370640000005)
Phe-Phe4Cl-OH
C23H19ClN2O6 (454.09315840000005)
Phe4Cl-Phe-OH
C23H19ClN2O6 (454.09315840000005)
Sitaxentan
C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists
[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methanol
3-[(4-Methyl-3,5-dinitrophenyl)sulfonyl]-2-(3-nitrophenyl)-1,3-th iazolidine
3-[(4-Methyl-3-nitrophenyl)sulfonyl]-2-(2,4,5-trimethoxyphenyl)-1 ,3-thiazolidine
Ethyl 7-(benzyloxy)-4-{[(trifluoromethyl)sulfonyl]oxy}-2-naphthoa te
Fenticonazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
zinc gluconate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12C - Other mineral supplements > A12CB - Zinc COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dietary zinc supplement
1H,1H-Perfluorohexyl p-toluenesulfonate
C13H9F11O3S (454.00967360000004)
Quinolinium,1-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-, iodide (1:1)
4-Methylumbelliferyl α-L-idopranosiduronic acid 2-sulphate sodium salt
ethyl 4,6-diphenylpyryliumtrifluoromethane-sulfonate-2-carboxylate
Thiazolidine, 3-[(4-methyl-3,5-dinitrophenyl)sulfonyl]-2-(4-nitrophenyl)- (9CI)
sodium 3-[[4-[(4-hydroxyphenyl)azo]-1-naphthyl]azo]benzenesulphonate
C22H15N4NaO4S (454.07116700000006)
rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(iv) dichloride
C20H26Cl2SiZr (454.02278160000003)
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
2-({[4-Bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid
3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C14H14N8O4S3 (454.03001240000003)
n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide
C18H13ClF6N2O3 (454.0518850000001)
CCG-1423 is an inhibitor of Rho/MRTF/SRF pathway. CCG-1423 shows activities in several cancer cells. CCG-1423 is a promising lead compound for the development of novel pharmacologic tools, and it can be used for the research of cancer and diabetes[1][2][3].
Cefotaxime(1-)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
8-Amino-8-demethylriboflavin 5-phosphate
C16H17N5O9P-3 (454.07638620000006)
(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid
C13H19N4O12P (454.07370640000005)
(6R,7R)-3-(Acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
N-(2-bromophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
C18H23BrN4O3S (454.06741480000005)
3,4,5-Trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C23H13F3N2O3S (454.0598944000001)
2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
C19H17F3N4O4S (454.09225580000003)
3-Furan-2-yl-acrylic acid 3-bromo-5-[(2-hydroxy-benzoyl)-hydrazonomethyl]-phenyl ester
8-(4-Hydroxy-3-methoxyphenyl)-6-(4-methylphenyl)-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b]thiazole-2,5,7-trione
(3aR,4S,9aR,9bS)-N,2-bis(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide
7-[(3-Bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione
[(3aS,4S,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
C19H20BrFN2O3S (454.03619620000006)
[(3aS,4R,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
C19H20BrFN2O3S (454.03619620000006)
[(3aR,4S,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
C19H20BrFN2O3S (454.03619620000006)
[(3aR,4R,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
C19H20BrFN2O3S (454.03619620000006)
(6R,7S)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C14H14N8O4S3 (454.03001240000003)
[(E)-4-[3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl]-2-methylbut-2-enyl] hydrogen sulate
SAICAR
C13H19N4O12P (454.07370640000005)
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
Cefotaxime(1-)
A cephalosporin carboxylic acid anion having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups, formed by proton loss from the carboxy group of the cephalosporin cefotaxime.
5,6,7,19,20,21-hexahydroxy-10,16-dioxo-11,15-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylic acid
(1s,4r,5s,6s,9s,11s,14r,15s,18s,22s)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone
C18H18N2O6S3 (454.03269680000005)
(1r,4s,5r,6r,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone
C18H18N2O6S3 (454.03269680000005)
7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate
(3r,4r,5r,6s)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate
1',2,7',8-tetrahydroxy-[1,2'-bixanthene]-9,9'-dione
5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone
C18H18N2O6S3 (454.03269680000005)
methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate
C24H19ClO7 (454.08192540000005)
(6r,7r)-7-{[1-hydroxy-2-(1,2,3,4-tetrazol-1-yl)ethylidene]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C14H14N8O4S3 (454.03001240000003)
(6s,7r)-7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate
5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone
C18H18N2O6S3 (454.03269680000005)
(1r,4s,5s,7s,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone
C18H18N2O6S3 (454.03269680000005)
(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 (454.07370640000005)