Exact Mass: 415.10493060000005
Exact Mass Matches: 415.10493060000005
Found 208 metabolites which its exact mass value is equals to given mass value 415.10493060000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cephalosporin C
C16H21N3O8S (415.10493060000005)
Cephalosporin C is an antibiotic of the cephalosporin class. It was isolated from fungi of the genus Acremonium and first characterized in 1961. Although not a very active antibiotic itself, synthetic analogs of cephalosporin C, such as cefalotin, became some of the first marketed cephalosporin antibiotic drugs. (Wikipedia) 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
N6-(delta2-isopentenyl)-adenosine 5'-monophosphate
C15H22N5O7P (415.12567920000004)
N6-(delta2-isopentenyl)-adenosine 5-monophosphate, also known as n6-(dimethylallyl)adenosine 5-phosphate or isopentenyl-amp, is a member of the class of compounds known as purine ribonucleoside monophosphates. Purine ribonucleoside monophosphates are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. N6-(delta2-isopentenyl)-adenosine 5-monophosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N6-(delta2-isopentenyl)-adenosine 5-monophosphate can be found in a number of food items such as arctic blackberry, japanese pumpkin, lichee, and acorn, which makes n6-(delta2-isopentenyl)-adenosine 5-monophosphate a potential biomarker for the consumption of these food products. N6-(Δ2-isopentenyl)-adenosine 5-monophosphate, also known as n6-(dimethylallyl)adenosine 5-phosphate or isopentenyl-amp, is a member of the class of compounds known as purine ribonucleoside monophosphates. Purine ribonucleoside monophosphates are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. N6-(Δ2-isopentenyl)-adenosine 5-monophosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N6-(Δ2-isopentenyl)-adenosine 5-monophosphate can be found in a number of food items such as arctic blackberry, japanese pumpkin, lichee, and acorn, which makes n6-(Δ2-isopentenyl)-adenosine 5-monophosphate a potential biomarker for the consumption of these food products. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
(1S,3S)-(R)-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals Same as: D07763
Floridin
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 It is used in food processing as a filtration agent and flocculating agent Same as: D01075
Chlorobiocic acid
C21H18ClNO6 (415.08225980000003)
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors
Cylindrospermopsin
C15H21N5O7S (415.11616360000005)
A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer in which the carbon bearing the hydroxy group has R configuration). It is a cyanotoxin produced by several species of freshwater cyanobacteria, such as Aphanizomenon ovalisporum.
Validoxylamine A 7-phosphate
C14H26NO11P (415.12434160000004)
A cyclitol phosphate that is validoxylamine A carrying a single monophosphate substituent at position 7.
Alphamethrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
Tenalisib
C23H18FN5O2 (415.14444599999996)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D000081082 - Phosphoinositide-3 Kinase Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
6-Heptenyl glucosinolate
6-Heptenyl glucosinolate is found in brassicas. 6-Heptenyl glucosinolate is present in Japanese horseradish (Wasabia japonica). Present in Japanese horseradish (Wasabia japonica). 6-Heptenyl glucosinolate is found in brassicas and wasabi.
Epicylindrospermopsin
C15H21N5O7S (415.11616360000005)
Acemetacin
C21H18ClNO6 (415.08225980000003)
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Arhalofenate
C19H17ClF3NO4 (415.07981480000007)
cephaloridine
Eleclazine
C21H16F3N3O3 (415.11437020000005)
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
Quisultazine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
N-(1,2,3-trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
C22H25NO5S (415.14533600000004)
acemetacin
C21H18ClNO6 (415.08225980000003)
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 2151 INTERNAL_ID 2151; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 3122 EAWAG_UCHEM_ID 3122; CONFIDENCE standard compound
2-(4-bromophenyl)-6-(4-methoxyphenyl)-4-phenylpyridine
3-(5-Hydroxy-1H-indole-3-yl)-4-(1H-indole-3-yl)-1H-pyrrole-2,5-dicarboxylic acid 2-methyl ester
6-C-[(2S,5S)-prolin-5-yl]quercetin|prolinalin A
C20H17NO9 (415.09032720000005)
3-(1H-Indole-3-yl)-4-(5-hydroxy-1H-indole-3-yl)-1H-pyrrole-2,5-dicarboxylic acid 2-methyl ester
Angoline hydrochloride
C22H22ClNO5 (415.11864320000007)
Kasugamycin Hydrochloride
C14H26ClN3O9 (415.13574960000005)
Kasugamycin hydrochloride (Ksg hydrochloride) is an antibiotic which binds both the 30S and 70S ribosome but not isolated 50S subunits. Kasugamycin hydrochloride (Ksg hydrochloride) mimics mRNA nucleotides to destabilize tRNA binding and inhibit canonical translation initiation[1][2].
Cephalosporin C
C16H21N3O8S (415.10493060000005)
A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. 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
6-Heptenyl glucosinolate
HALOFENATE
C19H17ClF3NO4 (415.07981480000007)
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents C26170 - Protective Agent > C921 - Uricosuric Agent D009676 - Noxae > D000963 - Antimetabolites
N-(3-((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)(hydroxy)Methyl)-2,4-difluorophenyl)propane-1-sulfonamide
C17H16ClF2N3O3S (415.05689200000006)
4-n-fmoc-amino-4-carboxy-1,1-dioxa-tetrahydrothiopyran
C21H21NO6S (415.10895260000007)
(1S)-cis-(alphaS)-cypermethrin
Thiazolidine, 2-(2,5-dimethoxyphenyl)-3-(1-naphthalenylsulfonyl)- (9CI)
C21H21NO4S2 (415.09119460000005)
N-Methyl-N-(3-[((N-tert-butoxycarbonyl-N-methylamino)acetoxy)methyl]pyridin-2-yl)carbamic acid 1-chloroethyl ester
methyl N-[4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-beta-alaninate
C19H18ClN5O4 (415.10472580000004)
Thiazolidine, 2-(3,4-dimethoxyphenyl)-3-(1-naphthalenylsulfonyl)- (9CI)
C21H21NO4S2 (415.09119460000005)
(1S,2S,3R,5S)-(+)-2,3-PINANEDIOL4-BROMOBUTYLBORONATEESTER
alpha-cyano-3-phenoxybenzyl [1R-[1alpha(R*),3beta]]-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
N-(2-Chloroethyl)-N-[2-[(3,4-dimethoxyphenyl)thio]-1-methylethyl]benzenemethanamine hydrochloride
C20H27Cl2NO2S (415.11394620000004)
TERT-BUTYL 4-(2-((METHYLSULFONYL)OXY)ETHYL)-4-(((METHYLSULFONYL)OXY)METHYL)PIPERIDINE-1-CARBOXYLATE
1,3-dimethyl-5-[6-(phenylthio)benz[cd]indol-2(1H)-ylidene]barbituric acid
C23H17N3O3S (415.09905720000006)
N-[(10-Oxido-9,10-dihydro-9-oxa-10-phosphaphenanthrene)methyl]-6-phenyl-1,3,5-triazine-2,4-diamine
1,2:5,6-Di-O-isopropyliden-3-toluol-p-sulfonat-α-D-allofuranose-3-d
C19H25DO8S (415.14110877800005)
(S)-benzyl 2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
Cyano(3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
α-cypermethrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
NEDOCROMIL SODIUM
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D000893 - Anti-Inflammatory Agents > D000082142 - Mast Cell Stabilizers D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D018926 - Anti-Allergic Agents D007155 - Immunologic Factors
Arhalofenate
C19H17ClF3NO4 (415.07981480000007)
C26170 - Protective Agent > C921 - Uricosuric Agent
Sulfur, [4-[[2-(1,1-difluoroethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]pentafluoro-, (OC-6-21)-
C14H12F7N5S (415.07015960000007)
1-[2-Nitro-4-(trifluoromethylsulfonyl)phenyl]-4-phenylpiperazine
C17H16F3N3O4S (415.08135720000007)
N-(3-methylphenyl)-4-(4-nitrophenyl)-2-phenyl-5-thiazolecarboxamide
C23H17N3O3S (415.09905720000006)
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
C20H21N3O5S (415.12018560000007)
3-(benzenesulfonyl)-N-(3-methylphenyl)-5-triazolo[1,5-a]quinazolinamine
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
C20H18ClN3O3S (415.0757348000001)
8-(2-Chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine
C20H22ClN5O3 (415.1411092000001)
(3,4-Dihydroxy-phenyl)-triphenyl-arsonium
C24H20AsO2+ (415.06791799999996)
n-(m-Trifluoromethylphenyl) phenoxazine-4,6-dicarboxylic acid
C21H12F3NO5 (415.0667538000001)
{[(2,2-Dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid
C9H23NO13P2 (415.06446079999995)
Cypermethrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals Same as: D07763
cefaloridine
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 Same as: D01075
Eleclazine
C21H16F3N3O3 (415.11437020000005)
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
[(4S,5R,6S,8S,10R)-10-[(S)-(2,4-Dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-1(12)-en-6-yl] sulfate
C15H21N5O7S (415.11616360000005)
(2aS,3R,4S,5aS,7R)-7-[(R)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-8,8b-diaza-1-azoniaacenaphthylen-4-yl sulfate
C15H21N5O7S (415.11616360000005)
(6R,7R)-7-[[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
C15H19N4O8S- (415.09235540000003)
2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
C24H21N3O4 (415.15319860000005)
2-hydroxy-1-(2-methylpropyl)-4-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
C20H21N3O5S (415.12018560000007)
N-(3,4-dimethyl-2-sulfanylidene-5-thiazolyl)carbamic acid 2-[(2,5-dimethylphenyl)sulfonylamino]ethyl ester
[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
C16H16F3N5O5 (415.11034820000003)
1-[4-(Diethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
C18H20F3N3O3S (415.11774060000005)
3-methyl-5-(4-morpholinylsulfonyl)-N-(2-pyridinylmethyl)-2-benzofurancarboxamide
C20H21N3O5S (415.12018560000007)
powelline Trifluoroacetic acid
C19H20F3NO6 (415.12426560000006)
A natural product found in Crinum asiaticum var. sinicum.
2-(2,4-dimethoxyphenyl)-N-[1-(2-furyl)ethylidene]-4-quinolinecarbohydrazide
C24H21N3O4 (415.15319860000005)
2-[9-(3-chloro-4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
C22H22ClNO5 (415.11864320000007)
4-[(2,4-Dimethoxyanilino)methylidene]-2-(6-methyl-2-pyridinyl)isoquinoline-1,3-dione
C24H21N3O4 (415.15319860000005)
7-Chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline
C21H22ClN3O2S (415.11211820000005)
isopropyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
C21H22ClN3O4 (415.12987620000007)
2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
C24H21N3O2S (415.13544060000004)
N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,5-dinitrobenzamide
C18H17N5O5S (415.09503520000004)
2-Methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester
C24H21N3O4 (415.15319860000005)
2-[[2-Methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]sulfonylamino]acetic acid ethyl ester
C20H21N3O5S (415.12018560000007)
5-(2,5-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-2-furancarboxamide
1-(1,3-Benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone
C25H21NO5 (415.14196560000005)
N-(2-tert-butylphenyl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
N-{[8-(benzyloxy)-2-quinolinyl]methylene}-4-chlorobenzohydrazide
9H-xanthene-9-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester
C21H21NO6S (415.10895260000007)
1-Cyclopropyl-3-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]urea
C24H21N3O2S (415.13544060000004)
Ethyl 4-(sec-butyl{[(3,4-dichlorophenyl)amino]carbonyl}amino)piperidine-1-carboxylate
N-(3,4-dimethylisoxazol-5-yl)-4-{[(1E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
C20H18FN3O4S (415.10020000000003)
methyl 1-(2,4-difluorophenyl)-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
C19H15F2N5O2S (415.09144740000005)
N-(4-{[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
C21H21BrClN2+ (415.05765360000004)
3-[(2-Bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]-1-azabicyclo[2.2.2]octane
C21H22BrNOS (415.06053820000005)
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
C21H19F6NO (415.13707560000006)
[(8R,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8R,9S,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8R,9S,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8S,9R,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8S,9S,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8R,9R,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8S,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8S,9S,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (E)-but-2-enoate
(2S)-2-[1,4-Bis(methylsulfonyloxy)butyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
N(6)-(dimethylallyl)adenosine 5-monophosphate
C15H22N5O7P (415.12567920000004)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
cylindrospermopsin zwitterion
C15H21N5O7S (415.11616360000005)
A zwitterion resulting from the transfer of a proton from the sulfooxy group to one of the nitrogens of the guanidine group of cylindrospermopsin.
2-(glutathion-S-yl)-1,4-hydroquinone
C16H21N3O8S (415.10493060000005)
A glutathione conjugate in which the thiol hydrogen of glutathione has been replaced by a 2,5-dihydroxyphenyl group.
7-epi-Cylindrospermopsin
C15H21N5O7S (415.11616360000005)
A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer in which the carbon bearing the hydroxy group has S configuration). It is a cyanotoxin produced by several species of freshwater cyanobacteria, such as Aphanizomenon ovalisporum.
7-TFA-ap-7-Deaza-dG
C16H16F3N5O5 (415.11034820000003)
5'-O-TBDMS-dG is a modified nucleoside. 5'-O-DMT-2'-O-TBDMS-rI can be used in the synthesis of deoxyribonucleic acid or nucleic acid. 7-TFA-ap-7-Deaza-dG is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
ACSS2-IN-2
C21H19F2N3O4 (415.13435580000004)
ACSS2-IN-2 is an acyl-CoA synthetase short-chain family member 2 (ACSS2) inhibitor. ACSS2-IN-2 can inhibit ACSS2 activity with an IC50 value of 3.8 nM. ACSS2-IN-2 can be used for the research of several diseases, such as viral infection, metabolic disorders, neuropsychiatric diseases, inflammatory/autoimmune conditions and cancer[1].
BAY-179
C23H21N5OS (415.14667360000004)
BAY-179 is a potent, selective, and species cross-reactive complex I inhibitor (IC50=79 μM)[1].
Cjoc42
C20H21N3O5S (415.12018560000007)
Cjoc42 is a compound capable of binding to gankyrin. Cjoc42 inhibits gankyrin activity in a dose-dependent manner. Cjoc42 prevents the decrease in p53 protein levels normally associated with high amounts of gankyrin. Cjoc42 restores p53-dependent transcription and sensitivity to DNA damage[1].
ML348
C18H17ClF3N3O3 (415.09104780000007)
ML348 (GNF-Pf-1127) is a selective and reversible acyl-protein thioesterase 1 (APT1)/lysophospholipase 1 (LYPLA1) inhibitor with an IC50 of 210 nM, and barely inhibits LYPLA2[1].
Z62954982
C20H21N3O5S (415.12018560000007)
Z62954982 (ZINC08010136) is a potent, selective and?cell-permeable Rac1 (IC50=12 μM) inhibitor that is 4 times more effective than NSC23766 (HY-15723A) (IC50=50 μM). Z62954982?disrupts the Rac1/Tiam1 complex and decreases cytoplasmic levels of active Rac1 (GTP-bound Rac1), without affecting the activity of other Rho GTPases (such as Cdc42 or RhoA)[1][2].
(3r)-3-[(1s)-2-[(1s,4ar,6r,7r,8ar)-6,7-dichloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H27Cl2NO4 (415.13170420000006)
(6s,7s)-3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C16H21N3O8S (415.10493060000005)
3-[2-(6,7-dichloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H27Cl2NO4 (415.13170420000006)
[(4s,5r,6s,8s,10r)-10-[(r)-hydroxy(2-hydroxy-6-oxo-1h-pyrimidin-4-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl]oxidanesulfonic acid
C15H21N5O7S (415.11616360000005)
bisindolylpyrrole cpb-53-594-4
{"Ingredient_id": "HBIN018625","Ingredient_name": "bisindolylpyrrole cpb-53-594-4","Alias": "NA","Ingredient_formula": "C23H17N3O5","Ingredient_Smile": "COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2474","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisindolylpyrrole cpb-53-594-5
{"Ingredient_id": "HBIN018626","Ingredient_name": "bisindolylpyrrole cpb-53-594-5","Alias": "NA","Ingredient_formula": "C23H17N3O5","Ingredient_Smile": "COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=C2C=C(C=C3)O)C4=CNC5=CC=CC=C54","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2475","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid
C20H17NO9 (415.09032720000005)
3-[2-(6,7-dichloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H27Cl2NO4 (415.13170420000006)
10-ethenyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-2-one
(4ar,12ar)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
C20H17NO9 (415.09032720000005)
(7s,9s,10r,11s)-10-ethenyl-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-2-one
(2s,5r)-5-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid
C20H17NO9 (415.09032720000005)
(3r)-3-[(1s)-2-[(1s,4ar,6r,7r,8ar)-6,7-dichloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H27Cl2NO4 (415.13170420000006)
(2s,5s)-5-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid
C20H17NO9 (415.09032720000005)
[(2s,3r,4s,5s)-3,4-dihydroxy-5-{6-[(3-methylbut-2-en-1-yl)amino]purin-9-yl}oxolan-2-yl]methoxyphosphonic acid
C15H22N5O7P (415.12567920000004)
3-(5-hydroxy-1h-indol-3-yl)-4-(1h-indol-3-yl)-5-(methoxycarbonyl)-1h-pyrrole-2-carboxylic acid
(3r,3's)-3'-methoxy-1,3'-dimethyl-2'-[(1e)-2-phenylethenyl]spiro[indole-3,6'-pyrrolo[1,2-c]imidazole]-1',2,5'-trione
C24H21N3O4 (415.15319860000005)
[(4s,5r,6s,8s,10r)-10-[(s)-(2,6-dihydroxypyrimidin-4-yl)(hydroxy)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl]oxidanesulfonic acid
C15H21N5O7S (415.11616360000005)
5-(2-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}-1,2-dihydroxyethenyl)-2h-1,3-benzodioxole-4-carboxylic acid
4-(5-hydroxy-1h-indol-3-yl)-3-(1h-indol-3-yl)-5-(methoxycarbonyl)-1h-pyrrole-2-carboxylic acid
1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
C20H17NO9 (415.09032720000005)
{10-[hydroxy(2-hydroxy-6-oxo-1h-pyrimidin-4-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl}oxidanesulfonic acid
C15H21N5O7S (415.11616360000005)
(4as,12as)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
C20H17NO9 (415.09032720000005)
(7s,9s,10s,11s)-10-ethenyl-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-2-one
[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(3-methylbut-3-en-1-yl)oxolan-2-yl]methoxyphosphonic acid
C15H22N5O7P (415.12567920000004)
3'-methoxy-1,3'-dimethyl-2'-(2-phenylethenyl)spiro[indole-3,6'-pyrrolo[1,2-c]imidazole]-1',2,5'-trione
C24H21N3O4 (415.15319860000005)
(7r)-3-[(acetyloxy)methyl]-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C16H21N3O8S (415.10493060000005)
(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C16H21N3O8S (415.10493060000005)
(2z,4as,12ar)-2-[amino(hydroxy)methylidene]-4a,10,11,12a-tetrahydroxy-8-methoxy-4,5-dihydrotetracene-1,3,12-trione
C20H17NO9 (415.09032720000005)
3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C16H21N3O8S (415.10493060000005)