Exact Mass: 461.1134
Exact Mass Matches: 461.1134
Found 169 metabolites which its exact mass value is equals to given mass value 461.1134,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Azlocillin
Azlocillin is only found in individuals that have used or taken this drug. It is a semisynthetic ampicillin-derived acylureido penicillin.By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, azlocillin 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; it is possible that azlocillin interferes with an autolysin inhibitor. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
SM-17466
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
gammaGluCys(IAN)Gly
A glutathione conjugate that is the S-cyano(indol-3-yl)methyl derivative of glutathione.
4-(2-Nitroethyl)phenyl primeveroside
4-(2-Nitroethyl)phenyl primeveroside is found in fruits. 4-(2-Nitroethyl)phenyl primeveroside is a constituent of Annona squamosa (sugar apple)
Cyanidin 3-O-(6'-acetyl-arabinoside)
Cyanidin 3-O-(6-acetyl-arabinoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)
KBT 1585 hydrochloride
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate
Prulifloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
2-[(2-Fluorophenyl)sulfanylmethyl]-5-[6-[(2-hydroxycyclopentyl)amino]purin-9-yl]oxolane-3,4-diol
gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide
2-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]propanoic acid
4-(2-Nitroethyl)phenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
2-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]propanoic acid
4-(2-Nitroethyl)phenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside_major
4-(2-Nitroethyl)phenyl 6-O-?-D-xylopyranosyl-?-D-glucopyranoside
Cys Asp Pro Gln
Cys Asp Gln Pro
Cys Glu Asn Pro
Cys Glu Pro Asn
Cys Asn Glu Pro
Cys Asn Pro Glu
Cys Pro Asp Gln
Cys Pro Glu Asn
Cys Pro Asn Glu
Cys Pro Gln Asp
Cys Gln Asp Pro
Cys Gln Pro Asp
Asp Cys Pro Gln
Asp Cys Gln Pro
Asp Pro Cys Gln
Asp Pro Gln Cys
Asp Gln Cys Pro
Asp Gln Pro Cys
Glu Cys Asn Pro
Glu Cys Pro Asn
Glu Asn Cys Pro
Glu Asn Pro Cys
Glu Pro Cys Asn
Glu Pro Asn Cys
Asn Cys Glu Pro
Asn Cys Pro Glu
Asn Glu Cys Pro
Asn Glu Pro Cys
Asn Pro Cys Glu
Asn Pro Glu Cys
Pro Cys Asp Gln
Pro Cys Glu Asn
Pro Cys Asn Glu
Pro Cys Gln Asp
Pro Asp Cys Gln
Pro Asp Gln Cys
Pro Glu Cys Asn
Pro Glu Asn Cys
Pro Asn Cys Glu
Pro Asn Glu Cys
Pro Gln Cys Asp
Pro Gln Asp Cys
Gln Cys Asp Pro
Gln Cys Pro Asp
Gln Asp Cys Pro
Gln Asp Pro Cys
Gln Pro Cys Asp
Gln Pro Asp Cys
Cyanidin 3-O-(6-acetyl-arabinoside)
4-(2-Nitroethyl)phenyl primeveroside
2-{7-Acetoxy-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-2(6H)-isoquinolinyl}propanoic acid
(6-acetyloxy-5-nitro-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) acetate
lenampicillin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
7-Chloro-N-{(3-chlorophenyl)[4-(1-pyrrolidinylmethyl)phenyl]methy l}-4-quinolinamine
Vonoprazan Fumarate
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-fluorophenyl)-7-methyl- (9CI)
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-6-methyl- (9CI)
3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carbonitrile
Ethyl 6-[4-(Diphenylamino)phenyl]coumarin-3-carboxylate
SPA-S 510
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
N-(3-CHLORO-4-FLUOROPHENYL)-7-(3-MORPHOLINOPROPOXY)-6-NITROQUINAZOLIN-4-AMINE
1H-Benzimidazole,1-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl]-5,6-dimethyl-(9CI)
Prulifloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
9-(4-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate
3-Hexyl-1,2-dimethyl-1H-imidazol-3-ium bis[(trifluoromethyl)sulfonyl]azanide
3,6-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9-[9H]xanthen]-3-one
MK-5108
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
5-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2:5,3-terpyridine-3-carboxamide
(2r)-2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}propene-1-Sulfonamide
4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide
5-O-(L-Alpha-Aspartylsulfamoyl)adenosine
Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme. Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme.
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate
Pivcefalexin
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
[3-(2-Chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
(1R)-2-[(Cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate(2-)
alpha-Ketoglutaryl-diaminobutyryl-citryl-ethanolamine
Diaminobutyryl-citryl-ethanolamino-alpha-ketoglutarate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2,4-diamino-4-oxobutanoate
N-[2-[(6-methoxy-2-methyl-4-quinolinyl)thio]-1-oxoethyl]-2-(1-naphthalenyloxy)acetohydrazide
3-[[4-(2,6-Difluoro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]aniline
Cefamandole(1-)
A cephalosporin carboxylate anion having (R)-mandelamido and N-methylthiotetrazole side-groups.
3-L-asparaginyl-AMP
An L-asparaginyl derivative that is the ester obtained by formal condensation of the carboxy group of L-asparagine with the 3-hydroxy group of AMP.
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide
1-[4-Chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)urea
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
N-[(4-fluorophenyl)methyl]-2-[3-oxo-6-(1-piperidinylsulfonyl)-1,4-benzoxazin-4-yl]acetamide
N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
2-[(5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
N-(2,5-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide
3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
2-[4-(2-Thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
2-(2-Chloro-6-fluoro-phenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one
1-(4-Chlorophenyl)-6-[(4-methylphenyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
Methyl 2-[3-[(7-chloro-4-quinolyl)amino]propylamino]-4-methyl-6-phenyl-pyrimidine-5-carboxylate
2-O-acetylcrinamabine Trifluoroacetic acid
A natural product found in Crinum asiaticum var. sinicum.
2-methylthio-N(6)-dimethylallyladenine 5-monophosphate
(1S,9R,10R,11R)-10-(hydroxymethyl)-N-(2-methoxyethyl)-12-(2-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-N-(2-methoxyethyl)-12-(2-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
5-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine
N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide
A non-proteinogenic dipeptide formed from L-gamma-glutamic acid and hercynyl-L-cysteine sulfoxide residues. It is an intermediate in the synthesis of ergothioneine, a compound found in certain fungi and mycobacteria.
(2S,5S,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-1-oxo-2-[[oxo-(2-oxo-1-imidazolidinyl)methyl]amino]-2-phenylethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-methoxyphenyl 3-O-(beta-D-glucopyranosyluronate)-beta-D-galactopyranoside
(2S,3S,4S,5R)-6-[3-acetamido-2-hydroxy-5-(4-methylbenzoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
Azlocillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum A semisynthetic penicillin antibiotic used in treating infections caused by Pseudomonas aeruginosa, Escherichia coli, and Haemophilus influenzae. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
luteolin 7-O-beta-D-glucosiduronate
A carbohydrate acid derivative anion that is the conjugate base of luteolin 7-O-beta-D-glucosiduronic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
B-Raf IN 2
B-Raf IN 2 is a potent and selective BRAF inhibitor extracted from patent WO2021116055A1, compound Ia. B-Raf IN 2 can be used for the research of cancer[1].
FAUC 365
FAUC 365 is a highly dopamine D3 receptor-selective antagonist with Ki values of 0.5 nM, 340, 2600, and 3600 nM at D3, D4.4, D2short, and D2Long receptors, respectively. FAUC 365 can be used for the research of schizophrenia, and Parkinson's disease[1][2].
(2s,5r,6r)-6-{[(2r)-1-hydroxy-2-{[hydroxy(2-hydroxy-4,5-dihydroimidazol-1-yl)methylidene]amino}-2-phenylethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2s,3r,4s,5s,6r)-2-[4-(2-nitroethyl)phenoxy]-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
bis(4-hydroxy-3-(hydroxyimino)cyclohexa-1,5-diene-1-carbaldehyde); 6-(hydroxyimino)-4-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
1-(3,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)ethyl]-7,8-dihydroxychromeno[3,4-b]pyrrol-4-one
6'-o-α-l-arabinofuranosylthalictoside
{"Ingredient_id": "HBIN012630","Ingredient_name": "6'-o-\u03b1-l-arabinofuranosylthalictoside","Alias": "NA","Ingredient_formula": "C19H27NO12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1558","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6'-o-β-d-apiofuranosylthalictoside
{"Ingredient_id": "HBIN012638","Ingredient_name": "6'-o-\u03b2-d-apiofuranosylthalictoside","Alias": "NA","Ingredient_formula": "C19H27NO12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1518","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
