Exact Mass: 246.9956
Exact Mass Matches: 246.9956
Found 222 metabolites which its exact mass value is equals to given mass value 246.9956,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyridoxal 5'-phosphate
Pyridoxal phosphate, also known as PLP, pyridoxal 5-phosphate or P5P, is the active form of vitamin B6. It is a coenzyme in a variety of enzymatic reactions. Pyridoxal 5-phosphate belongs to the class of organic compounds known as pyridoxals and derivatives. Pyridoxals and derivatives are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively. Pyridoxal 5-phosphate is a drug which is used for nutritional supplementation and for treating dietary shortage or imbalance. Pyridoxal 5-phosphate exists in all living species, ranging from bacteria to humans. In humans, pyridoxal 5-phosphate is involved in glycine and serine metabolism. Outside of the human body, pyridoxal 5-phosphate is found, on average, in the highest concentration within cow milk. Pyridoxal 5-phosphate has also been detected, but not quantified in several different foods, such as soursops, italian sweet red peppers, muscadine grapes, european plums, and blackcurrants. Pyridoxal 5-phosphate, with regard to humans, has been found to be associated with several diseases such as epilepsy, early-onset, vitamin B6-dependent, odontohypophosphatasia, pyridoxamine 5-prime-phosphate oxidase deficiency, and hypophosphatasia. Pyridoxal 5-phosphate has also been linked to the inborn metabolic disorder celiac disease. This is the active form of vitamin B6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (pyridoxamine). -- Pubchem; Pyridoxal-phosphate (PLP, pyridoxal-5-phosphate) is a cofactor of many enzymatic reactions. It is the active form of vitamin B6 which comprises three natural organic compounds, pyridoxal, pyridoxamine and pyridoxine. -- Wikipedia [HMDB]. Pyridoxal 5-phosphate is found in many foods, some of which are linden, kai-lan, nance, and rose hip. Acquisition and generation of the data is financially supported in part by CREST/JST. A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins KEIO_ID P038 Pyridoxal phosphate is the active form of vitamin B6, acts as an inhibitor of reverse transcriptases, and is used for the treatment of tardive dyskinesia.
Emtricitabine
Emtricitabine is only found in individuals that have used or taken this drug. It is a nucleoside reverse transcriptase inhibitor (NRTI) for the treatment of human immunodeficiency virus type 1 (HIV-1) infection in adults. Emtricitabine works by inhibiting reverse transcriptase (RT), an enzyme that allows the virus to multiply by copying HIV RNA into new viral DNA. The drug competes with the reverse transcriptases natural substrate deoxycytidine 5-triphosphate and also becomes incorporated into viral DNA. This is a result of emtricitabine being a synthetic nucleoside analogue of cytidine. It is phosphorylated by cellular enzymes to form emtricitabine 5-triphosphate which competes with the natural substrate deoxycytidine 5-triphosphate and becomes incorporated into nascent viral DNA, resulting in early chain termination. By inhibiting HIV-1 reverse transcriptase, emtricitabine can help to lower the amount of HIV (viral load) in a patients body and can indirectly increase the number of immune system cells (T cells or CD4+ T-cells). Both of these changes are associated with healthier immune systems and a decreased likelihood of serious illness. Emtricitabine is always used in conjunction with other HIV medicine to treat people with HIV infection. 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 D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3106 Same as: D01199
2-Hydroxyacetaminophen sulfate
2-Hydroxyacetaminophen sulfate is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 2-Hydroxyacetaminophen sulfate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 2-Hydroxyacetaminophen sulfate can be found in feces.
HHPAA sulfate
2-Hydroxy-N-(2-hydroxyphenyl)acetamide sulfate (HHPAA sulfate) is a benzoxazinoid metabolite. It is a potential plasma biomarker of whole grain intake (PMID: 24812068).
(2-Amino-6-oxo-1H-purin-9-yl) dihydrogen phosphate
ent-Emtricitabine
Manganese citrate
Dietary supplement
4-hydroxy-4-(1H-indol-3-yl)-5-thioxoimidazolidin-2-one
pyridoxal phosphate
A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins Pyridoxal phosphate is the active form of vitamin B6, acts as an inhibitor of reverse transcriptases, and is used for the treatment of tardive dyskinesia.
Nitarsone
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent CONFIDENCE standard compound; INTERNAL_ID 441; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2171; ORIGINAL_PRECURSOR_SCAN_NO 2170 CONFIDENCE standard compound; INTERNAL_ID 441; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2167; ORIGINAL_PRECURSOR_SCAN_NO 2166 CONFIDENCE standard compound; INTERNAL_ID 441; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2177; ORIGINAL_PRECURSOR_SCAN_NO 2175 CONFIDENCE standard compound; INTERNAL_ID 441; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2160; ORIGINAL_PRECURSOR_SCAN_NO 2159 CONFIDENCE standard compound; INTERNAL_ID 441; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2229; ORIGINAL_PRECURSOR_SCAN_NO 2227 CONFIDENCE standard compound; INTERNAL_ID 441; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2173; ORIGINAL_PRECURSOR_SCAN_NO 2171
5-Chlorosalicylanilide
CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4680; ORIGINAL_PRECURSOR_SCAN_NO 4677 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4719 ORIGINAL_ACQUISITION_NO 4721; CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4719 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4704; ORIGINAL_PRECURSOR_SCAN_NO 4701 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4699; ORIGINAL_PRECURSOR_SCAN_NO 4697 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4708; ORIGINAL_PRECURSOR_SCAN_NO 4706 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4715; ORIGINAL_PRECURSOR_SCAN_NO 4713
Pyridoxal 5-phosphate
The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal.
2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ETHANETHIOAMIDE
BENZENEBUTANOIC ACID, BETA-AMINO-2,4-DICHLORO-, (BETAR)-
Imidodicarbonimidicdiamide, N-(4-chlorophenyl)-, hydrochloride (1:1)
5-(TRIFLUOROMETHYL)THIENO[3,2-B]PYRIDINE-6-CARBOXYLICACID
Benzenesulfonyl chloride, 4-(acetylamino)-2-methyl- (9CI)
4-(4-HYDRAZINYLPHENYL)-4H-1,2,4-TRIAZOLE DIHYDROCHLORIDE
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
BENZENESULFONYL CHLORIDE, 4-(ACETYLAMINO)-3-METHYL-
3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid
5-bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
5-BROMO-2,3-DIHYDRO-1H-INDEN-2-AMINE HYDROCHLORIDE
(2-AMINO-5-CHLOROPHENYL)(3-HYDROXYPHENYL)METHANONE
5-(2,1,3-benzoxadiazol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
3H-1,2,4-Triazole-3-thione,5-benzo[b]thien-3-yl-2,4-dihydro-4-methyl-(9CI)
1-(4-CHLOROPHENYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
3-Oxo-3,4-dihydro-2h-1,4-benzoxazine-6-sulfonyl chloride
2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid
2-METHYL-1,3-BENZOTHIAZOLE-6-SULPHONYL CHLORIDE 95+
1-[5-[(2-HYDROXYETHYL)THIO]-4-NITRO-2-THIENYL]ETHAN-1-ONE
1-(2-CHLOROPHENYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
3-[(4-CHLOROPHENYL)METHYL]-PYRIDINE-4-CARBOXYLIC ACID
5-AMINO-4-BROMO-1-METHYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
6-Chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazine
6-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
methyl 3-isocyanatosulfonylthiophene-2-carboxylate
Imidodicarbonimidicdiamide, N-(2-chlorophenyl)-, hydrochloride (1:1)
3-METHYL-2-OXO-2,3-DIHYDROBENZO[D]OXAZOLE-6-SULFONYL CHLORIDE
N-((5-BROMOTHIOPHEN-2-YL)METHYL)-2-METHYLPROPAN-1-AMINE
Cyclopropanamine, 1-(3-bromophenyl)-, hydrochloride (1:1)
4-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-7-SULFONYL CHLORIDE
7-Chloro-4-(trifluoromethyl)-1H-indole-2-carbaldehyde
1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone
7-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
6-chloro-4-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-2-amine
3-(8-chloroquinoline-4-yl)acrylic acid methyl ester
1-(3-chlorophenyl)biguanide hydrochloride
m-CPBG (1-(3-Chlorophenyl)biguanide) hydrochloride is a selective 5-HT3 agonist. m-CPBG hydrochloride can be used for the research of neurological disease[1].
6-Chloro-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydrochloride
(R)-5-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
7-Chloro-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydrochloride
4-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-SULFONYL CHLORIDE
methyl-(2-amino-6-chloro-pyrimidin-4-ylthio)propanoate
1,2,4-Triazine-3,5(2H,4H)-dione,2-acetyl-6-bromo-4-methyl-
8-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
(R)-4-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
(S)-4-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonyl chloride
5-BROMO-2,3-DIHYDRO-1-METHYL-1H-ISOINDOLE HYDROCHLORIDE
Emtricitabine
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 D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Same as: D01199
[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl phosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Amino-3-[hydroxy(phosphonomethyl)phosphoryl]propanoic acid
(2-Amino-6-oxo-1H-purin-9-yl) dihydrogen phosphate
7-Chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
Iron nitrilotriacetate
D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
4-(3-Hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate
cis-4-(3-Hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate
An aryl sulfate that is the 3-hydroxy derivative of paracetamol sulfate.
4-Iodo-2,6-dimethylaniline
{"Ingredient_id": "HBIN010581","Ingredient_name": "4-Iodo-2,6-dimethylaniline","Alias": "NA","Ingredient_formula": "C8H10IN","Ingredient_Smile": "CC1=CC(=CC(=C1N)C)I","Ingredient_weight": "247.08 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40749","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "278942","DrugBank_id": "NA"}
