Exact Mass: 275.9833
Exact Mass Matches: 275.9833
Found 304 metabolites which its exact mass value is equals to given mass value 275.9833,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-Phosphogluconic acid
6-phosphogluconic acid, also known as 6-phospho-D-gluconate or D-gluconic acid 6-(dihydrogen phosphate), is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 6-phosphogluconic acid is soluble (in water) and a moderately acidic compound (based on its pKa). 6-phosphogluconic acid can be found in a number of food items such as purple mangosteen, nopal, chicory leaves, and common sage, which makes 6-phosphogluconic acid a potential biomarker for the consumption of these food products. 6-phosphogluconic acid can be found primarily in blood, cellular cytoplasm, and saliva, as well as throughout most human tissues. 6-phosphogluconic acid exists in all living species, ranging from bacteria to humans. In humans, 6-phosphogluconic acid is involved in the pentose phosphate pathway. 6-phosphogluconic acid is also involved in few metabolic disorders, which include glucose-6-phosphate dehydrogenase deficiency, ribose-5-phosphate isomerase deficiency, transaldolase deficiency, and warburg effect. 6-phosphogluconic acid is formed by 6-phosphogluconolactonase, and acted upon by phosphogluconate dehydrogenase to produce ribulose 5-phosphate. It may also be acted upon by 6-phosphogluconate dehydratase to produce 2-keto-3-deoxy-6-phosphogluconate . 6-Phosphogluconic acid, also known as 6-phospho-D-gluconate or gluconic acid-6-phosphate, belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 6-Phosphogluconic acid exists in all living species, ranging from bacteria to humans. Within humans, 6-phosphogluconic acid participates in a number of enzymatic reactions. In particular, 6-phosphogluconic acid can be biosynthesized from gluconolactone; which is mediated by the enzyme 6-phosphogluconolactonase. In addition, 6-phosphogluconic acid can be converted into D-ribulose 5-phosphate through the action of the enzyme 6-phosphogluconate dehydrogenase, decarboxylating. In humans, 6-phosphogluconic acid is involved in the metabolic disorder called the transaldolase deficiency pathway. Outside of the human body, 6-Phosphogluconic acid has been detected, but not quantified in several different foods, such as cascade huckleberries, common chokecherries, half-highbush blueberries, american cranberries, and okra. [Spectral] 6-Phospho-D-gluconate (exact mass = 276.02463) and Phosphoenolpyruvate (exact mass = 167.98237) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. KEIO_ID P031
2-Carboxyarabinitol 1-phosphate
2-carboxyarabinitol 1-phosphate, also known as 1-pac, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 2-carboxyarabinitol 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxyarabinitol 1-phosphate can be found in a number of food items such as soy bean, potato, yellow wax bean, and common bean, which makes 2-carboxyarabinitol 1-phosphate a potential biomarker for the consumption of these food products.
5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene
5-(4-Acetoxy-1-butynyl)-2,2-bithiophene is found in herbs and spices. 5-(4-Acetoxy-1-butynyl)-2,2-bithiophene is isolated from Tagetes specie Isolated from Tagetes subspecies [DFC]. 5-(4-Acetoxy-1-butynyl)-2,2-bithiophene is found in herbs and spices.
4-Hydroxycyclophosphamide
4-Hydroxycyclophosphamide is a primary activation metabolite of cyclophosphamide and of mafosfamide (an experimental drug) after they partially metabolized by cytochrome P450 (PMID: 12021633). Cyclophosphamide is a chemotherapeutic used to suppress the immune system and to treat several cancers including lymphoma, multiple myeloma, leukemia, ovarian cancer, breast cancer and small cell lung cancer. After cyclphosphamide is converted to 4-hydroxycyclophosphamide it is then partially tautomerized into aldophosphamide, which easily enters live cells whereupon it is partially detoxified into inactive carboxycyclophosphamide by the enzyme ALDH. 4-Hydroxycyclophosphamide is also an intermediate metabolite in the formation of phosphoramide mustard, the active metabolite, and acrolein, the metabolite responsible for much of the toxicity associated with cyclophosphamides (PMID: 7059981). 4-Hydroxycyclophosphamide is not cytotoxic at physiologic pH, readily diffuses into cells and spontaneously decomposes into the active phosphoramide mustard. In human liver microsomes, 4-Hydroxycyclophosphamide formation correlates with known phenotypic markers of CYP2B6 activity, specifically formation of (S)-2-ethyl-1,5-dimethyl-3,3-diphenyl pyrrolidine and hydroxybupropion. In addition, it is reported that the CYP2B6 genotype is not consistently related to 4-Hydroxycyclophosphamide formation in vitro or in vivo (PMID: 21976622). 4-Hydroxycyclophosphamide is only found in individuals who have consumed the drug cyclophosphamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Aldophosphamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-(2-chlorophenyl)-5-(5-methyl-2-thienyl)-1,3,4-oxadiazole
2-Chloro-5-nitro-N-phenylbenzamide
CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4257; ORIGINAL_PRECURSOR_SCAN_NO 4255 CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3923; ORIGINAL_PRECURSOR_SCAN_NO 3921 CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4307; ORIGINAL_PRECURSOR_SCAN_NO 4305 CONFIDENCE standard compound; INTERNAL_ID 929; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3920; ORIGINAL_PRECURSOR_SCAN_NO 3918 GW9662 is a potent and selective PPARγ antagonist with an IC50 of 3.3 nM, showing 10 and 1000-fold selectivity over PPARα and PPARδ, respectively.
4-Hydroxyifosfamide
4-Hydroxyifosfamide is the active metabolite of the bifunctional alkylating cytostatic drug known as ifosfamide. 4-Hydroxyifosfamide is a member of the compound class known as oxazaphosphorines. Oxazaphosphorines are any saturated six-membered heterocycle containing three carbon atoms and one each of oxygen, nitrogen and phosphorus, especially one in which the phosphorus atom is linked to both the nitrogen and oxygen atoms. 4-Hydroxyifosfamide is very unstable in plasma and a stabilization procedure by adding citric acid has been developed (PMID: 9172103). 4-Hydroxyifosfamide is known to pass through the blood-brain barrier, and can reach cerebrospinal fluid concentrations that are almost as high as plasma concentrations (PMID: 9677448). 4-Hydroxyifosfamide is only found in individuals who have consumed or received the drug Ifosfamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Aldoifosfamide
Aldoifosfamide is a metabolite of ifosfamide. Ifosfamide (pronounced eye. fos. fa. mide) (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia)
Menadione sodiuM bisulfite
D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins
Aldophosphamide
Detoxification of cyclophosphamide is effected, in part, by hepatic class 1 aldehyde dehydrogenase (ALDH-1)-catalyzed oxidation of aldophosphamide, a pivotal aldehyde intermediate, to the nontoxic metabolite, carboxyphosphamide. Detoxification of aldophosphamide may also be effected by enzymes, viz. Thus, NAD-linked oxidation and NADPH-linked reduction of aldophosphamide catalyzed by relevant erythrocyte enzymes were quantified. (PMID: 9394035) Class 1 aldehyde dehydrogenases (ALDH-1) function as drug resistance gene products by catalyzing the irreversible conversion of aldophosphamide, an active metabolite of cyclophosphamide, to an inert compound. (PMID: 9322086) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-Carboxyarabinitol 5-phosphate
2-Carboxyarabinitol 5-phosphate is found in pulses. 2-Carboxyarabinitol 5-phosphate is isolated from the leaves of Phaseolus vulgaris (kidney bean). Isolated from the leaves of Phaseolus vulgaris (kidney bean). 2-Carboxyarabinitol 5-phosphate is found in pulses, yellow wax bean, and green bean.
Dihydroferulic acid 4-O-sulfate
Dihydroferulic acid 4-O-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Dihydroferulic acid 4-O-sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
6-phosphonatooxy-D-gluconate
6-phosphonatooxy-D-gluconate is also known as 6-phospho-D-Gluconic acid. 6-phosphonatooxy-D-gluconate is considered to be soluble (in water) and acidic
3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid
3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3-hydroxy-4-methoxyphenyl)propanoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.
Arctic acid B
Arctic acid b, also known as arctate b, is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctic acid b is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Arctic acid b can be found in burdock, which makes arctic acid b a potential biomarker for the consumption of this food product.
2-C-methyl-D-erythritol-2,4-cyclodiphosphate
2-c-methyl-d-erythritol-2,4-cyclodiphosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-c-methyl-d-erythritol-2,4-cyclodiphosphate can be found in a number of food items such as papaya, yautia, italian oregano, and daikon radish, which makes 2-c-methyl-d-erythritol-2,4-cyclodiphosphate a potential biomarker for the consumption of these food products.
(3R*,4S*)-3,4,6,7-tetrachloro-3,7-dimethylocten-1-ene
1-(ethyldichlorosilyl)-2-(diethylchlorosilyl)ethane
5,7-Dichloro-3,4-dihydro-8-hydroxy-3-methyl-6-methoxy-1H-2-benzopyran-1-one
Alpha-Oxo-5-(1-propynyl)[2,2-bithiophene]-5-acetic acid|arctic acid-b
2-(1-Acetoxy-aethyl)-5-(thienyl-(2)-aethinyl)-thiophen|2-(1-Acetoxy-aethyl)-5--thiophen|2-(1-Acetoxyaethyl)-5-<(2-thienyl)aethinyl>thiophen|Ac-alpha-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol
5-Amino-1-(3-bromophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
3,7-Dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid
1-(3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-2,2,2-TRIFLUOROETHANONE
3-(4-methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
7-CHLOROMETHYL-3-PHENYL-THIAZOLO[3,2-A]PYRIMIDIN-5-ONE
2-Naphthalenesulfonicacid, 1,4-dihydro-1,4-dioxo-, potassium salt (1:1)
(2-([(5-CHLORO-1,2,3-THIADIAZOL-4-YL)METHYL]SULFANYL)-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL
5-[(2,4-DICHLOROPHENOXY)METHYL]-1,3,4-OXADIAZOLE-2-THIOL
ETHYL 5-BROMO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE
(6-Bromo-2-fluoro-3-(methoxycarbonyl)phenyl)boronic acid
2-AMINO-5,5-DIMETHYL-5,6-DIHYDRO-4H-BENZOTHIAZOL-7-ONE HYDROBROMIDE
5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Phosphoric acid,2,2-dichloroethenyl bis(1-methylethyl) ester
2,2-(perfluorocyclohexa-2,5-diene-1,4-diylidene)dimalononitrile
Benzeneacetic acid,2,3,5,6-tetrafluoro-4-(trifluoromethyl)-
2,4,6-triethyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
1-Naphthalenesulfonicacid, 3,4-dihydro-3,4-dioxo-, potassium salt (1:1)
Benzaldehyde,3-chloro-, 2-[(3-chlorophenyl)methylene]hydrazone
DCB (3,3′-dichlorobenzaldazine) is an neutral allosteric modulator of the metabotropic glutamate receptor metabotropic glutamate receptor subtype 5 (mGluR5). DCB blocks the positive allosteric regulation of mGluRs (mGluR5) with the help of 3,3′-difluorobenzaldazine (DFB). DCB shows the negative modulatory effect of 3,3′-dimethoxybenzaldazine (DMeOB)[1].
3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole
2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone
7-chloro-N-(p-tolyl)thiazolo[5,4-d]pyrimidin-2-amine
2-[(4-bromoimidazol-1-yl)methoxy]ethyl-trimethylsilane
7-CHLORO-2,4-DIOXO-1,4-DIHYDRO-2H-BENZO[D][1,3]OXAZINE-6-SULFONAMIDE
diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-λ5-phosphane
2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carboxylic acid
2-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-5-YL]-THIOPHENE-5-CARBOXYLIC ACID
(6E)-6-[(2-chlorophenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
(6E)-6-[(4-chlorophenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
6-[(2-chlorophenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
6-[(4-chlorophenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Silver(I) ((4-(2H-tetrazol-5-yl)tetraaz-3-en-2-yl)(amino)methylene)amide
1,3,5-Trichloro-1,3,5-Trimethyl-1,3,5-Trisilacyclohexane
3-(7-Chloro-8-methyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
3-(6-Chloro-8-methyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
2-Thiophenecarboxylic acid, 5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-
Benzaldehyde,2-chloro-, 2-[(2-chlorophenyl)methylene]hydrazone
2-Propen-1-one,3-(2-chlorophenyl)-1-(4-chlorophenyl)-
(BICYCLO[2.2.1]HEPTA-2,5-DIENE)[(2S,3S)-BIS(DIPHENYLPHOSPHINO)-BUTANE]RHODIUM(I)PERCHLORATE
2-(chloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
3-(7-Chloro-6-methyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
5-(1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)THIOPHENE-2-CARBOXYLIC ACID
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
5-AMINO-1-(4-BROMOPHENYL)-3-METHYL-4-CYANO 1H-PYRAZOLE
N-(4-Chloro-6-methyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine
4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimine
2-[(2-Chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine hydrochloride
6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
2-(4-Chlorobenzylthio)-1,4,5,6-tetrahydropyrimidine hydrochloride
6-(Hydroxymethyl)-6-methyl-2,4-dioxido-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol
2-C-methyl-D-erythritol 2,4-cyclic diphosphate(2-)
N-(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrole-6-yl)benzamide
3-(2-Methyloxiran-2-yl)propyl phosphono hydrogen phosphate
(2S,3R,4R)-2,3,4,5-tetrahydroxy-2-(phosphonooxymethyl)pentanoic acid
N-[(E)-(5-nitrothiophen-2-yl)methylidene]pyridine-2-carbohydrazide
5-(2-Chloro-4-fluorophenyl)-3-(2-pyrazinyl)-1,2,4-oxadiazole
4-Amino-2-(4-chlorophenyl)-6-(methylthio)pyrimidine-5-carbonitrile
N-(3-chlorophenyl)-N-[(3-chlorophenyl)methylidene]methanimidamide
4-Hydroxycyclophosphamide
A phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
GW 9662
GW9662 is a potent and selective PPARγ antagonist with an IC50 of 3.3 nM, showing 10 and 1000-fold selectivity over PPARα and PPARδ, respectively.
2-C-methyl-D-erythritol 2,4-cyclic diphosphate(2-)
Dianion of 2-C-methyl-D-erythritol 2,4-cyclic diphosphate.
4-Hydroxyifosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole
6-Phospho-D-gluconic acid
A gluconic acid phosphate having the phosphate group at the 6-position. It is an intermediate in the pentose phosphate pathway.
CNQX (disodium)
CNQX disodium (FG9065 disodium) is a potent and competitive AMPA/kainate receptor antagonist with IC50s of 0.3 μM and 1.5 μM, respectively. CNQX disodium is a competitive non-NMDA receptor antagonist[1]. CNQX disodium blocks the expression of fear-potentiated startle in rats[5].
5,7-dichloro-6-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
2,2′,5″,2″-terthiophene-5-carboxylic acid
{"Ingredient_id": "HBIN003664","Ingredient_name": "2,2\u2032,5\u2033,2\u2033-terthiophene-5-carboxylic acid","Alias": "NA","Ingredient_formula": "C13H8OS3","Ingredient_Smile": "C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41879","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
