Exact Mass: 307.9895
Exact Mass Matches: 307.9895
Found 163 metabolites which its exact mass value is equals to given mass value 307.9895,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(R)-5-Diphosphomevalonic acid
Mevalonate-diphosphate, also known as 5-diphosphomevalonic acid or mevelonic acid-5-diphosphoric acid, is a member of the class of compounds known as organic pyrophosphates. Organic pyrophosphates are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. Thus, mevalonate-diphosphate is considered to be a fatty acid lipid molecule. Mevalonate-diphosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Mevalonate-diphosphate can be found in a number of food items such as kohlrabi, enokitake, avocado, and redcurrant, which makes mevalonate-diphosphate a potential biomarker for the consumption of these food products. Mevalonate-diphosphate exists in all eukaryotes, ranging from yeast to humans. In humans, mevalonate-diphosphate is involved in several metabolic pathways, some of which include zoledronate action pathway, lovastatin action pathway, pamidronate action pathway, and desmosterolosis. Mevalonate-diphosphate is also involved in several metabolic disorders, some of which include wolman disease, lysosomal acid lipase deficiency (wolman disease), cholesteryl ester storage disease, and CHILD syndrome. 5-Diphosphomevalonic acid (CAS: 1492-08-6) is a metabolic intermediate in the mevalonate pathway, catalyzed by the enzyme phosphomevalonate kinase from 5-phosphomevalonate (Wikipedia).
FENSULFOTHION
CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8595; ORIGINAL_PRECURSOR_SCAN_NO 8592 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8562; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8609; ORIGINAL_PRECURSOR_SCAN_NO 8605 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8582; ORIGINAL_PRECURSOR_SCAN_NO 8581 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8608; ORIGINAL_PRECURSOR_SCAN_NO 8606 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8628; ORIGINAL_PRECURSOR_SCAN_NO 8627
Alphachloralose
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics Bird repellant in grain seed
(R)-3,5-bisphosphomevalonic acid
(R)-Mevalonic acid-5-pyrophosphate
(R)-Mevalonic acid-5-pyrophosphate (mevalonate 5-diphosphate) is a directly synthesized product of mevalonate phosphate that is essential for cell proliferation. (PMID 2211719). It is a substrate for mevalonate-5-diphosphate decarboxylase, the third enzyme involved in the biosynthesis of cholesterol from mevalonic acid. This enzyme catalyzes the reaction of mevalonate 5-diphosphate (MVADP) with ATP to produce isopentenyl diphosphate, ADP, CO2, and inorganic phosphate. The overall reaction involves an anti elimination of the tertiary hydroxyl and carboxyl groups. This metabolite participates both in the biosynthesis of cholesterol and fatty acid mechanism, through which interpathway regulation could take place between the cholesterol and FA cascades. (PMID 8769113 ) [HMDB] (R)-Mevalonic acid-5-pyrophosphate (mevalonate 5-diphosphate) is a directly synthesized product of mevalonate phosphate that is essential for cell proliferation. (PMID 2211719). It is a substrate for mevalonate-5-diphosphate decarboxylase, the third enzyme involved in the biosynthesis of cholesterol from mevalonic acid. This enzyme catalyzes the reaction of mevalonate 5-diphosphate (MVADP) with ATP to produce isopentenyl diphosphate, ADP, CO2, and inorganic phosphate. The overall reaction involves an anti elimination of the tertiary hydroxyl and carboxyl groups. This metabolite participates both in the biosynthesis of cholesterol and fatty acid mechanism, through which interpathway regulation could take place between the cholesterol and FA cascades. (PMID 8769113 ).
cis-Resveratrol 3-sulfate
cis-Resveratrol 3-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
cis-Resveratrol 4'-sulfate
cis-Resveratrol 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Resveratrol 3-sulfate
Resveratrol 3-sulfate, also known as resveratrol 3-sulphuric acid, is a polyphenol metabolite detected in biological fluids [http://phenol-explorer.eu/] (PMID: 20428313). Resveratrol 3-sulfate is classified as a member of the Stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Resveratrol 3-sulfate can be found in human biolfuids (http://phenol-explorer.eu/). Within a cell, Resveratrol 3-sulfate is primarily located in the cytoplasm and in the extracellular space.
trans-Resveratrol 4'-sulfate
trans-Resveratrol 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Sulisobenzone
C1892 - Chemopreventive Agent > C851 - Sunscreen
(1E,4R,6S)-1,6-Dibromo-1,3(8)-ochtodien-4-ol
(1E,4S,6S)-1,6-Dibromo-1,3(8)-ochtodien-4-ol
5-bromo-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
Sulisobenzone
C1892 - Chemopreventive Agent > C851 - Sunscreen CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3788; ORIGINAL_PRECURSOR_SCAN_NO 3785 CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3786; ORIGINAL_PRECURSOR_SCAN_NO 3783 CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3807; ORIGINAL_PRECURSOR_SCAN_NO 3805 CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3851; ORIGINAL_PRECURSOR_SCAN_NO 3849 CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3796; ORIGINAL_PRECURSOR_SCAN_NO 3793
ascidiathiazone A
An organic heterotricyclic compound, that is 3,4-dihydro-2H-[1,4]thiazino[2,3-g]quinoline-5,10 dione S,S-dioxide substituted at position 7 by a carboxyl group. It is an anti-inflmmatory alkaloid obtained from Aplidium.
1,3-Bis-(2-chlor-1,1,2-trifluor-aethoxy)-propan|1,3-bis-(2-chloro-1,1,2-trifluoro-ethoxy)-propane
1,2,3-Trihydroxy-6-methoxy-7-chloro-9H-xanthene-9-one
(E)-5-(1-Acetoxy-2-chloro-1-buten-3-ynyl)-2,2?脣-bithiophene
8-bromoethoxypsoralen|9-(2-bromo-ethoxy)-furo[3,2-g]chromen-7-one|9-(2-bromoethoxy)-2H-furo[3,2-g]chromen-2-one|9-(2-bromoethoxy)-7H-furo[3,2-g]chromen-7-one
1,1,1-TRICHLORO-4-HYDROXY-11-METHYLDODECA-3,5,7,9-TETRAEN-2-ONE
Benzophenone-4
CONFIDENCE standard compound; INTERNAL_ID 2867 CONFIDENCE standard compound; INTERNAL_ID 8802 CONFIDENCE standard compound; INTERNAL_ID 8220 CONFIDENCE standard compound; INTERNAL_ID 4183 CONFIDENCE Reference Standard (Level 1)
Chloralose
CONFIDENCE standard compound; INTERNAL_ID 571; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3386; ORIGINAL_PRECURSOR_SCAN_NO 3383 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent CONFIDENCE standard compound; INTERNAL_ID 571; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3405; ORIGINAL_PRECURSOR_SCAN_NO 3400 CONFIDENCE standard compound; INTERNAL_ID 571; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3382; ORIGINAL_PRECURSOR_SCAN_NO 3379 CONFIDENCE standard compound; INTERNAL_ID 571; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3401; ORIGINAL_PRECURSOR_SCAN_NO 3398 CONFIDENCE standard compound; INTERNAL_ID 571; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3393; ORIGINAL_PRECURSOR_SCAN_NO 3392 CONFIDENCE standard compound; INTERNAL_ID 571; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3387; ORIGINAL_PRECURSOR_SCAN_NO 3385
alpha-D-Glucofuranose,1,2-O-[(1S)-2,2,2-trichloroethylidene]-
3-Bromo-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
Pyrimido[4,5-g]quinazoline-4,9-dione,2-(chloromethyl)-1,6-dihydro-5,10-dihydroxy-7-methyl- (9CI)
[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
ETHYL 5-BROMO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
Propanimidic acid,3,3-dithiobis-, 1,1-dimethyl ester, hydrochloride (1:2)
2-phosphonobutane-1,2,4-tricarboxylic acid, potassium salt
5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
Poly(oxy-1,2-ethanediyl), .alpha.-phosphono-.omega.-(methylphenoxy)-, dipotassium salt
[2,6-dichloro-4-(trifluoromethylsulfonyl)phenyl]hydrazine
5-[2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL]-2-FURALDEHYDE
ethyl 3-(4-bromophenyl)-1-methyl-1h-pyrazole-5-carboxylate
BOC-(1S,2R)-(+)-2-AMINOCYCLOHEX-4-ENE-CARBOXYLIC ACID
5-(4-bromophenyl)-1-(tetrahydro-2H-pyran-2-yl)tetrazole
3-CHLORO-6,11-DIHYDRO-5,5-DIOXO-11-AMINO-6-METHYLDIBENZO[C,F][1,2]THIAZEPINE
5-[3-(TRIFLUOROMETHYL)BENZYLTHIO]-1,3,4-THIADIA-ZOLE-2-THIOL
ETHYL 4-(4-CHLOROPHENYL)-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
2-ACETYL-2H-INDAZOL-7-YL TRIFLUOROMETHANESULFONATE
Benzene,1,1-[(1E)-1,2-ethenediylbis(sulfonyl)]bis-
Zinc Picolinate
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-(3-bromophenyl)-4-chloropyrazolo[3,4-d]pyrimidine
1-(4-Bromophenyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
(3-BOC-AMINO-PYRROLIDIN-1-YL)-(1H-INDOL-2-YL)-ACETICACID
6-amino-3-(2,6-dichlorophenyl)-1-methylpyrazolo[1,5-a]pyrimidin-2-one
Benzeneacetic acid,4-chloro-a-(4-chlorophenyl)-, ethyl ester
(5-Bromo-pyrimidin-2-yl)-(4-methyl-3-nitro-phenyl)-amine
5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride
2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-benzoic acid
4-HYDROXY-3-IODO-5-METHOXYBENZOIC ACID METHYL ESTER
4,5-Dichloro-2-(4-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
D-Gluco-2,5-anhydro-1-deoxy-1-phosphonohexitol-6-phosphate
Resveratrol-3-O-sulfate
An organic sulfate that is the 3-O-sulfate derivative of trans-resveratrol. D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors
S-(4-chlorophenyl) 3,4-dimethoxybenzenecarbothioate
5-(4-bromophenyl)-N-propan-2-yl-3-isoxazolecarboxamide
(R)-5-Diphosphomevalonic acid
The 5-diphospho derivative of (R)-mevalonic acid.
(3S)-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid
BTYNB
BTYNB is a potent and selective inhibitor of IMP1 binding to c-Myc mRNA (IC50=5 μM). BTYNB exhibits selectivity and effectiveness against IMP1-postive cancer cell lines. BTYNB can be used for cancer research[1].
IC87201
IC87201, an inhibitor of PSD95-nNOS protein-protein interactions, suppresses NMDAR-dependent NO and cGMP formation.
TC-S 7009
TC-S 7009 is a potent and selective HIF-2α inhibitor with a Kd of 81 nM. TC-S 7009 is more selective for HIF-2α than HIF-1α (Kd ? 5 μM). TC-S 7009 disrupts HIF-2α heterodimerization, decreases DNA-binding activity, and reduces HIF-2α target gene expression[1][2].
(4s,6r,7ar)-4,6-dibromo-5,5-dimethyl-4,6,7,7a-tetrahydro-2h-1-benzofuran
7-chloro-1,2,3-trihydroxy-6-methoxyxanthone
{"Ingredient_id": "HBIN013134","Ingredient_name": "7-chloro-1,2,3-trihydroxy-6-methoxyxanthone","Alias": "NA","Ingredient_formula": "C14H9ClO6","Ingredient_Smile": "COC1=C(C=C2C(=C1)OC3=CC(=C(C(=C3C2=O)O)O)O)Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3573","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
