Exact Mass: 291.9970294
Exact Mass Matches: 291.9970294
Found 220 metabolites which its exact mass value is equals to given mass value 291.9970294,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carboxyphosphamide
In contrast to previous adult studies on urinary metabolites, plasma carboxyphosphamide concentrations did not support the existence of polymorphic metabolism. Plasma concentrations of dechlorethylcyclophosphamide and carboxyphosphamide were correlated in individual patients, suggesting that the activity of both aldehyde dehydrogenase and cytochrome P450 enzyme(s) determine carboxyphosphamide production in vivo. (PMID: 7850793) 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. (PMID: 9394035) A key finding was the detection of a metabolite, most likely carboxyphosphamide, that is formed only by cytosols from cells expressing either class 3 or class 1 ALDH. (PMID: 8662659) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
CHLORBROMURON
CONFIDENCE standard compound; INTERNAL_ID 1318; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4514; ORIGINAL_PRECURSOR_SCAN_NO 4511 CONFIDENCE standard compound; INTERNAL_ID 1318; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9195; ORIGINAL_PRECURSOR_SCAN_NO 9192 CONFIDENCE standard compound; INTERNAL_ID 1318; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4480; ORIGINAL_PRECURSOR_SCAN_NO 4476 CONFIDENCE standard compound; INTERNAL_ID 1318; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4517; ORIGINAL_PRECURSOR_SCAN_NO 4513 CONFIDENCE standard compound; INTERNAL_ID 1318; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9173; ORIGINAL_PRECURSOR_SCAN_NO 9171 CONFIDENCE standard compound; INTERNAL_ID 1318; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4488; ORIGINAL_PRECURSOR_SCAN_NO 4485 CONFIDENCE standard compound; INTERNAL_ID 1318; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4500; ORIGINAL_PRECURSOR_SCAN_NO 4496 CONFIDENCE standard compound; INTERNAL_ID 1318; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4513; ORIGINAL_PRECURSOR_SCAN_NO 4508
Carboxyifosfamide
Carboxyifosfamide is a metabolite of ifosfamide. Ifosfamide (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
5-phospho-alpha-D-ribose cyclic-1,2-phosphate
Bis(4-isothiocyanatobutyl) disulfide
Bis(4-isothiocyanatobutyl) disulfide is found in brassicas. Bis(4-isothiocyanatobutyl) disulfide is a constituent of salad rocket (Eruca sativa) Constituent of salad rocket (Eruca sativa). Bis(4-isothiocyanatobutyl) disulfide is found in brassicas.
Citreovirone
Citreovirone is a mycotoxin produced by the rice storage mould Penicillium citreo-viride. Mycotoxin production by the rice storage mould Penicillium citreo-viride.
2-Hydroxychlorpropamide
2-Hydroxychlorpropamide is a metabolite of Chlorpropamide. 2-hydroxychlorpropamide belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
3-Hydroxychlorpropamide
3-Hydroxychlorpropamide is only found in individuals that have used or taken Chlorpropamide. 3-Hydroxychlorpropamide is a metabolite of Chlorpropamide. 3-hydroxychlorpropamide belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
4-Hydroperoxycyclophosphamide
Brevifolincarboxylic acid
Brevifolincarboxylic acid belongs to isocoumarins and derivatives class of compounds. Those are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Brevifolincarboxylic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Brevifolincarboxylic acid can be found in pomegranate, which makes brevifolincarboxylic acid a potential biomarker for the consumption of this food product. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3]. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3].
Brevifolincarboxylic acid
Brevifolincarboxylic acid is a natural product found in Melaleuca leucadendra, Euphorbia maculata, and other organisms with data available. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3]. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3].
Brevifolincarboxylic
Brevifolincarboxylic acid is a natural product found in Melaleuca leucadendra, Euphorbia maculata, and other organisms with data available. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3]. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3].
4-chloro-3,6,8-trihydroxy-1-methylxanthen-9-one
C14H9ClO5 (292.01384939999997)
9H-Xanthen-9-one, 2-chloro-1,3,6-trihydroxy-8-methyl-
C14H9ClO5 (292.01384939999997)
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
C11H14Cl2N2O3 (292.03814339999997)
1-Alcohol,Me ester-Aipha-Oxo-5-(1-propynyl)[2,2-bithiophene]-5-acetic acid
2-acetoxy-4-[2,2]bithiophenyl-5-yl-but-3-yn-1-ol|5-(3-acetoxy-4-hydroxy-1-butynyl)-2,2-bithiophene|5-(4-Hydroxy-3-acetoxybutin-1-yl)-bithienyl-2,2
4-Chloro-N-[(2-hydroxypropyl)carbamoyl]benzenesulfonamide
NSC 652287
RITA is an inhibitor of p53-HDM-2 interaction, binds to p53dN, with a Kd of 1.5 nM, and also induces DNA-DNA cross-links.
5-bromo-3-pheny Salicylic Acid
C13H9BrO3 (291.97350240000003)
2-ETHOXY-5-(3-METHYL-UREIDO)-BENZENESULFONYL CHLORIDE
Butedronic acid
C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor
2-bromo-1-(4-fluorophenyl)-2-phenylethanone
C14H10BrFO (291.98990019999997)
3-BROMO-4-FLUORO-3-METHYLBENZOPHENONE
C14H10BrFO (291.98990019999997)
ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
C11H8ClF3N2O2 (292.02263739999995)
5-Bromo-8-ethoxy-4-hydroxy-3-quinolinecarbonitrile
(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)-(4-METHOXYPHENYL)AMINE
Methanone, (2,4-dichlorophenyl)[(2R,3S)-3-phenyloxiranyl]-
Dichloro(N,N,N,N-tetramethylethylenediamine)palladium(II)
O,O-diethyl O-[4-(methylthio)phenyl] thiophosphate
2-(2-Amino-phenylsulfanyl)-N-(2-chloro-phenyl)-acetamide
C14H13ClN2OS (292.04370780000005)
2-Bromo-6-(3-piperidinyloxy)pyridine hydrochloride
2-Bromo-6-(4-piperidinyloxy)pyridine hydrochloride
4-Hydroperoxycyclophosphamide
A phosphorodiamide that is the active metabolite of the nitrogen mustard cyclophosphamide. It has potent antineoplastic and immunosuppressive properties. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
4-BROMO-3-FLUORO-4-METHYLBENZOPHENONE
C14H10BrFO (291.98990019999997)
6-CHLORO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE
4-bromo-2-cyclobutyloxy-1-(difluoromethoxy)benzene
2H-1,3,2-Oxazaphosphorin-2-amine,N,3-bis(2-chloroethyl)tetrahydro-4-hydroperoxy-, 2-oxide
1-bromo-4-diethoxyphosphorylbenzene
C10H14BrO3P (291.98638840000007)
ETHYL 5-CHLORO-2-METHYL-4-SULFAMOYLPHENYLCARBAMATE
(2,3,4,5,6-pentafluorophenyl) 2-methylpyrazole-3-carboxylate
2-(4-AMINO-3-CHLORO-PHENYL)-4-CHLORO-3H-BENZOIMIDAZOL-5-YLAMINE
ETHYL 5-CYANAMIDE-4-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
alpha-N-Dichloroacetyl-P-aminophenylserinol
C11H14Cl2N2O3 (292.03814339999997)
dimethyl 3-(4-chlorophenoxy)-2-oxopropylphosphonate
1-[(2-Bromophenyl)sulfanyl]-2,4-dimethylbenzene
C14H13BrS (291.99212780000005)
3-BROMO-3-FLUORO-4-METHYLBENZOPHENONE
C14H10BrFO (291.98990019999997)
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-(phenylsulfonyl)-
Dimethyl [3-(3-chlorophenoxy)-2-oxopropyl]phosphonate
5-bromo-1-(4-fluorophenyl)-phthalide
C14H10BrFO (291.98990019999997)
Ethyl 5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,4-oxadiazole -3-carboxylate
5-(chloromethyl)-3-[(3,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
dimethyl 5-chlorosulfonylbenzene-1,3-dicarboxylate
C10H9ClO6S (291.98083640000004)
2-(acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic acid
C9H9ClN2O5S (291.99206940000005)
4-BROMO-4-FLUORO-3-METHYLBENZOPHENONE
C14H10BrFO (291.98990019999997)
5-(chloromethyl)-3-[(2,6-dichlorophenoxy)methyl]-1,2,4-oxadiazole
(4-Bromo-thiazol-2-yl)-Methyl-carbamic acid tert-butyl ester
Gastric Inhibitory Polypeptide (porcine) trifluoroacetate salt
ethyl 6-chloro-2-(trifluoroMethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
C11H8ClF3N2O2 (292.02263739999995)
TRIETHYLSILYL 2,2-DIFLUORO-2-(FLUOROSULFONYL)ACETATE
Ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate
(4,8-dioxothieno[3,2-f][1]benzothiol-2-yl)methyl acetate
(3,5-Dichloro-2,4,6-trihydroxyphenyl)hexan-1-one
An aromatic ketone that is phloroglucinol in which two of the hydrogens attached to the benzene ring have been replaced by chlorines while the third has been replaced by a hexanoyl group. It is the immediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1). DIF-1 is released by developing Dictyostelium amoebae, inducing them to differentiate into stalk cells.
2-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one
C14H9ClO5 (292.01384939999997)
1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
A differentiation-inducing factor that is pentaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells.
5-(2-thienyl)-4-{[(E)-2-thienylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Perfosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Pergamid (TN)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
RITA (NSC 652287)
RITA is an inhibitor of p53-HDM-2 interaction, binds to p53dN, with a Kd of 1.5 nM, and also induces DNA-DNA cross-links.
4-(1-Imidazolyl)-3,5-dinitrobenzoic acid methyl ester
1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one
2-[(4-Chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
C14H13ClN2OS (292.04370780000005)
1-(4-Chlorophenyl)sulfonyl-3-(3-hydroxypropyl)urea
Methyl 2-hydroxy-3-(4-hydroxy-3-sulooxyphenyl)propanoate
C10H12O8S (292.02528720000004)
2-Hydroxy-3-(4-methoxy-3-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
3-(3-Hydroxy-5-methoxy-4-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
2-Hydroxy-3-(3-methoxy-4-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
Methyl 3-(3,4-dihydroxyphenyl)-2-sulooxypropanoate
C10H12O8S (292.02528720000004)
2-(2-Hydroxy-4-methoxy-3-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
Carboxyphosphamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Carboxyifosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Cysteinylglycine (TFA)
Cysteinylglycine TFA is an endogenous metabolite and used in disease diagnosis[1].
KRAS inhibitor-9
KRAS inhibitor-9, a potent KRAS inhibitor (Kd=92 μM), blocks the formation of GTP-KRAS and downstream activation of KRAS. KRAS inhibitor-9 binds to KRAS G12D, KRAS G12C and KRAS Q61H protein with a moderate binding affinity. KRAS inhibitor-9 causes G2/M cell cycle arrest and induces apoptosis. KRAS inhibitor-9 selectively inhibits the proliferation of NSCLC cells with KRAS mutation but not normal lung cells[1].
(5r)-6,7,8-trihydroxy-1,3-dioxo-2h,5h-cyclopenta[c]isochromene-5-carboxylic acid
.alpha.-T COOH deriv.
{"Ingredient_id": "HBIN015692","Ingredient_name": ".alpha.-T COOH deriv.","Alias": "5-[5-(2-thienyl)-2-thienyl]-2-thiophenecarboxylic acid; (2,2':5',2''-Terthiophene)-5-carboxylic acid; 2,2':5',2\"-Terthiophene-5-carboxylic acid; 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylic acid; AIDS-005102; AIDS005102; 5-[5-(2-thienyl)-2-thienyl]-2-thenoic acid; 87145-85-5; 5-[5-(2-thienyl)-2-thienyl]thiophene-2-carboxylic acid","Ingredient_formula": "C13H8O2S3","Ingredient_Smile": "C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C(=O)O","Ingredient_weight": "292.4","OB_score": "24.5199737","CAS_id": "87145-85-5","SymMap_id": "SMIT05457","TCMID_id": "NA","TCMSP_id": "MOL003375","TCM_ID_id": "NA","PubChem_id": "159047","DrugBank_id": "NA"}
6,7,8-trihydroxy-1,3-dioxo-2h,5h-cyclopenta[c]isochromene-5-carboxylic acid
(4r)-4-(5-bromo-1h-indol-3-yl)-1,3-diazinan-2-imine
tetrakis(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione
2-chloro-3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one
C14H9ClO5 (292.01384939999997)
1-(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one
(2r)-7,8,9-trihydroxy-3,5-dioxo-1h,2h-cyclopenta[c]isochromene-2-carboxylic acid
3-bromo-2-(hydroxymethyl)-4,5,6-trimethoxyphenol
C10H13BrO5 (291.99463080000004)
4-chloro-1,3,6-trihydroxy-8-methylxanthen-9-one
C14H9ClO5 (292.01384939999997)