Chemical Formula: C10H12N2O4
Chemical Formula C10H12N2O4
Found 54 metabolite its formula value is C10H12N2O4
3-Hydroxyl kyneurenine
Hydroxykynurenine is a free radical generator and a bioprecursor quinolinic acid which is a endogenous excitotoxin (PMID 16697652). It is a product of enzyme kynurenine 3-monooxygenase in the tryptophan catabolism pathway (Reactome http://www.reactome.org). [HMDB] Hydroxykynurenine is a free radical generator and a bioprecursor quinolinic acid which is a endogenous excitotoxin (PMID 16697652). It is a product of enzyme kynurenine 3-monooxygenase in the tryptophan catabolism pathway (Reactome http://www.reactome.org). Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA12_3-OH-kynurenine_pos_20eV_1-4_01_802.txt [Raw Data] CBA12_3-OH-kynurenine_pos_10eV_1-4_01_801.txt [Raw Data] CBA12_3-OH-kynurenine_pos_50eV_1-4_01_805.txt [Raw Data] CBA12_3-OH-kynurenine_pos_40eV_1-4_01_804.txt [Raw Data] CBA12_3-OH-kynurenine_pos_30eV_1-4_01_803.txt C26170 - Protective Agent > C275 - Antioxidant KEIO_ID H050; [MS3] KO009001 KEIO_ID H050; [MS2] KO009000 KEIO_ID H050
Stavudine
C10H12N2O4 (224.07970319999998)
Stavudine is only found in individuals that have used or taken this drug. It is a dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV. [PubChem]Stavudine inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Stavudine (d4T) is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Stavudine has activity against HIV-1 and HIV-2. Stavudine also inhibits the replication of mitochondrial DNA (mtDNA). Stavudine reduces NLRP3 inflammasome activation and modulates Amyloid-β autophagy. Stavudine induces apoptosis[1][2][3][4].
5-Hydroxykynurenine
C10H12N2O4 (224.07970319999998)
5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28]. [HMDB] 5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28].
L-3-Hydroxykynurenine
C10H12N2O4 (224.07970319999998)
L-3-Hydroxykynurenine (L-3-HK) is a metabolite in the kynurenine pathway, the major route of tryptophan degradation in mammals. Kynurenine 3-monooxygenase, an NADPH-dependent flavin monooxygenase, catalyses the hydroxylation of L-kynurenine to L-3-hydroxykynurenine. 3-hydroxykynurenine can be converted to 3-hydroxyanthranilate by the enzyme 3-hydroxykinureninase. It may also be converted to 4-(2-amino-3-hydroxphenyl)-2,4-dioxobutanoate by the enzyme kynurenine-oxoglutarate transaminase. L-3-Hydroxykynurenine (L-3-HK) is a known generator of highly reactive free radicals. An elevation of L-3-HK levels has been shown to constitute a significant hazard in situations of excitotoxic injury. In particular, L-3-HK may contribute to the neuronal deficits underlying HIV-associated dementia (PMID: 7830088). Pharmacological interventions aimed at decreasing L-3-HK formation may therefore be particularly useful for the treatment of neurological diseases which are associated with an abnormally enhanced flux through the kynurenine pathway (PMID: 10583474) [HMDB] L-3-Hydroxykynurenine (L-3-HK) is a metabolite in the kynurenine pathway, the major route of tryptophan degradation in mammals. Kynurenine 3-monooxygenase, an NADPH-dependent flavin monooxygenase, catalyses the hydroxylation of L-kynurenine to L-3-hydroxykynurenine. 3-hydroxykynurenine can be converted to 3-hydroxyanthranilate by the enzyme 3-hydroxykinureninase. It may also be converted to 4-(2-amino-3-hydroxphenyl)-2,4-dioxobutanoate by the enzyme kynurenine-oxoglutarate transaminase. L-3-Hydroxykynurenine (L-3-HK) is a known generator of highly reactive free radicals. An elevation of L-3-HK levels has been shown to constitute a significant hazard in situations of excitotoxic injury. In particular, L-3-HK may contribute to the neuronal deficits underlying HIV-associated dementia (PMID: 7830088). Pharmacological interventions aimed at decreasing L-3-HK formation may therefore be particularly useful for the treatment of neurological diseases which are associated with an abnormally enhanced flux through the kynurenine pathway (PMID: 10583474).
L-Nicotianine
C10H12N2O4 (224.07970319999998)
L-Nicotianine is found in mushrooms. L-Nicotianine is a constituent of Lentinus edodes (shiitake)
3-Hydroxykynurenine
C10H12N2O4 (224.07970319999998)
A hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3. C26170 - Protective Agent > C275 - Antioxidant MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; VCKPUUFAIGNJHC-UHFFFAOYSA-N_STSL_0007_3-Hydroxy-DL-Kynurenine_8000fmol_180416_S2_LC02_MS02_13; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
Stavudine
C10H12N2O4 (224.07970319999998)
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2238; ORIGINAL_PRECURSOR_SCAN_NO 2235 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2232; ORIGINAL_PRECURSOR_SCAN_NO 2230 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2236; ORIGINAL_PRECURSOR_SCAN_NO 2234 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2225; ORIGINAL_PRECURSOR_SCAN_NO 2224 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2291; ORIGINAL_PRECURSOR_SCAN_NO 2290 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2235; ORIGINAL_PRECURSOR_SCAN_NO 2233 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9439; ORIGINAL_PRECURSOR_SCAN_NO 9434 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9395 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9567; ORIGINAL_PRECURSOR_SCAN_NO 9562 CONFIDENCE standard compound; INTERNAL_ID 1066; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9454; ORIGINAL_PRECURSOR_SCAN_NO 9450 Stavudine (d4T) is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Stavudine has activity against HIV-1 and HIV-2. Stavudine also inhibits the replication of mitochondrial DNA (mtDNA). Stavudine reduces NLRP3 inflammasome activation and modulates Amyloid-β autophagy. Stavudine induces apoptosis[1][2][3][4].
3-Hydroxykynurenine; LC-tDDA; CE10
C10H12N2O4 (224.07970319999998)
3-Hydroxykynurenine; LC-tDDA; CE20
C10H12N2O4 (224.07970319999998)
3-Hydroxykynurenine; LC-tDDA; CE30
C10H12N2O4 (224.07970319999998)
3-Hydroxykynurenine; LC-tDDA; CE40
C10H12N2O4 (224.07970319999998)
L-Nicotianine
C10H12N2O4 (224.07970319999998)
methyl 3-(ethylamino)-4-nitrobenzoate
C10H12N2O4 (224.07970319999998)
4-nitro-phenylalanine methyl ester
C10H12N2O4 (224.07970319999998)
4,6-DIAMINO-1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER
C10H12N2O4 (224.07970319999998)
methyl 4-(ethylamino)-3-nitrobenzoate
C10H12N2O4 (224.07970319999998)
2-(1,3-benzodioxol-5-yloxy)propanehydrazide
C10H12N2O4 (224.07970319999998)
N-(4-Nitrophenyl)-2-hydroxy-2-methylpropanamide
C10H12N2O4 (224.07970319999998)
3-NITRO-4-PROPYLAMINO-BENZOIC ACID
C10H12N2O4 (224.07970319999998)
Benzene,1,2,3,4-tetramethyl-5,6-dinitro-
C10H12N2O4 (224.07970319999998)
methyl 2-[(3-amino-2-hydroxy-benzoyl)amino]acetate
C10H12N2O4 (224.07970319999998)
4-(1-oxidopyridin-4-ylidene)pyridin-1-ium 1-oxide,hydrate
C10H12N2O4 (224.07970319999998)
N-ETHOXYCARBONYL-5-NITRO-O-TOLUIDINE
C10H12N2O4 (224.07970319999998)
ethyl N-(4-methyl-3-nitrophenyl)carbamate
C10H12N2O4 (224.07970319999998)
N-ETHOXYCARBONYL-3-NITRO-O-TOLUIDINE
C10H12N2O4 (224.07970319999998)
(R)-3-AMINO-4-(4-BROMOPHENYL)BUTANOICACIDHYDROCHLORIDE
C10H12N2O4 (224.07970319999998)
4-[(2-NITROPHENYL)AMINO]BUTANOIC ACID
C10H12N2O4 (224.07970319999998)
Ethyl 4-(methylamino)-3-nitrobenzoate
C10H12N2O4 (224.07970319999998)
4-(Isopropylamino)-3-nitrobenzoic acid
C10H12N2O4 (224.07970319999998)
N-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide
C10H12N2O4 (224.07970319999998)
(R)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
C10H12N2O4 (224.07970319999998)
Methyl 2-amino-3-(4-nitrophenyl)propanoate
C10H12N2O4 (224.07970319999998)
L-[(N-Hydroxyamino)carbonyl]phenylalanine
C10H12N2O4 (224.07970319999998)
d-[(n-Hydroxyamino)carbonyl]phenylalanine
C10H12N2O4 (224.07970319999998)
3-Hydroxy-kynurenine
C10H12N2O4 (224.07970319999998)
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(2S,3R)-4-(2-aminophenyl)-2-amino-3-hydroxy-4-oxobutanoate
C10H12N2O4 (224.07970319999998)
(2S,3R)-2-amino-4-(2-aminophenyl)-3-hydroxy-4-oxobutanoic acid
C10H12N2O4 (224.07970319999998)
5-hydroxy-L-kynurenine zwitterion
C10H12N2O4 (224.07970319999998)
Tha amino acid zwitterion formed from 5-hydroxy-L-kynurenine by transfer of a proton from the carboxy to the amino group; principal microspecies at pH 7.3.
3-hydroxy-L-kynurenine zwitterion
C10H12N2O4 (224.07970319999998)
Zwitterionic form of 3-hydroxy-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3
5-Hydroxykynurenine
C10H12N2O4 (224.07970319999998)
A hydroxykynurenine that is kynurenine bearing a hydroxy group at the position 5.
nitroso[(2,4,5-trimethoxyphenyl)methylidene]amine
C10H12N2O4 (224.07970319999998)