Exact Mass: 497.070656
Exact Mass Matches: 497.070656
Found 36 metabolites which its exact mass value is equals to given mass value 497.070656,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Methyl-1-hydroxypropyl-ThPP
2-Methyl-1-hydroxypropyl-ThPP is an intermediate in valine, leucine and isoleucine degradation(KEGG ID C15976). It is the second to last step in the synthesis of isobutyryl-CoA and is converted from 3-methyl-2-oxobutanoate via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]. It is then converted to S-(2-methylpropanoyl)-dihydrolipoamide-E via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]]. [HMDB] 2-Methyl-1-hydroxypropyl-ThPP is an intermediate in valine, leucine and isoleucine degradation(KEGG ID C15976). It is the second to last step in the synthesis of isobutyryl-CoA and is converted from 3-methyl-2-oxobutanoate via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]. It is then converted to S-(2-methylpropanoyl)-dihydrolipoamide-E via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]].
PharmaGSID_48519
C22H20BrN5O4 (497.06985800000007)
CONFIDENCE standard compound; INTERNAL_ID 605; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8485; ORIGINAL_PRECURSOR_SCAN_NO 8483 CONFIDENCE standard compound; INTERNAL_ID 605; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8517; ORIGINAL_PRECURSOR_SCAN_NO 8514 CONFIDENCE standard compound; INTERNAL_ID 605; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8527; ORIGINAL_PRECURSOR_SCAN_NO 8524 CONFIDENCE standard compound; INTERNAL_ID 605; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8557; ORIGINAL_PRECURSOR_SCAN_NO 8553 CONFIDENCE standard compound; INTERNAL_ID 605; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 605; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8576; ORIGINAL_PRECURSOR_SCAN_NO 8573
Lenampicillin hydrochloride
C21H24ClN3O7S (497.10234240000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
4-Methylumbelliferyl2-acetamido-2-deoxy-b-D-galactopyranoside6sulphatepotassiumsalt
C18H20KNO11S (497.0394110000001)
2-Methyl-2-propanyl {3-[4-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2, 3-b]pyridin-3-yl]benzyl}carbamate
C25H24ClN3O4S (497.1175974000001)
2-CHLORO-4-NITROPHENYL-β-D-CELLOBIOSIDE
C18H24ClNO13 (497.09361240000004)
calcium trisodium pentetate
C14H18CaN3Na3O10 (497.03111580000007)
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D020011 - Protective Agents > D000931 - Antidotes
2-chloro-4-nitrophenyl-beta-d-lactoside
C18H24ClNO13 (497.09361240000004)
4-Methylumbelliferyl 6-Sulfo-2-acetamido-2-deoxy-b-D-glucopyranoside, Potassium Salt
C18H20KNO11S (497.0394110000001)
ethyl 5-acetoxy-6-broMo-2-((1,3-dioxo-2,3-dihydro-1H-inden-2-yl)Methyl)-1-Methyl-1H-indole-3-carboxylate
C24H20BrNO6 (497.04739200000006)
2-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]azo]benzothiazol-6-yl thiocyanate
(S)-2-(3-(Benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic Acid
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2,3-dihydroxybenzoyl)amino] phosphate
C17H18N6O10P- (497.08219980000007)
2-Chloro-5-[[5-[[5-(4,5-Dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-4-oxo-2-thiazolyl]amino]benzoic acid
C23H16ClN3O6S (497.04483060000007)
2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide
C20H20ClN3O4S3 (497.0304430000001)
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
[(1S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]seleninyl-1H-imidazol-5-yl]-1-carboxyethyl]-trimethylazanium
2-Methyl-1-hydroxypropyl-TPP
The diphosphate of thiamine(1+), substituted at C-2 of the thiazole ring by a hydroxylated sec-butyl group.
FAAH inhibitor 1
FAAH inhibitor 1 (Benzothiazole analog 3) is a potent fatty acid amide hydrolase (FAAH) inhibitor with an IC50 of 18±8 nM[1].
Lu AF27139
C21H19ClF3N5O2S (497.0900020000001)
Lu AF27139 is a potent, selective, and orally active antagonist of P2X7 receptor (IC50s of 12 and 2.4 nM for human and rat, Kis of 22, 54, and 13 nM for mouse, human, and rat, respectively). Lu AF27139 has rodent-active and CNS-penetrant character. Lu AF27139 has the potential for the research of CNS diseases[1].
15'-(aminomethyl)-7'-bromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',9',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-6'(10'),7'-dien-11'-one
C17H21BrClN9O2 (497.06900160000004)
[(e)-[(4r)-4-hydroxy-7-methanesulfonyl-1-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxysulfonic acid
(1'r,4r,5r,5's,14'r,15's,16'r,18's)-15'-(aminomethyl)-8'-bromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',6',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-7',9'-dien-11'-one
C17H21BrClN9O2 (497.06900160000004)
(1s)-4'-amino-4-[(4-amino-5-carboxy-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-7-hydroxy-3'-methoxy-3,6'-dioxospiro[2-benzofuran-1,1'-cyclohexane]-2',4'-diene-5'-carboxylic acid
4-[(5-carboxy-6-hydroxy-4-imino-3-oxocyclohexa-1,5-dien-1-yl)amino]-6',7-dihydroxy-4'-imino-3'-methoxy-3-oxospiro[2-benzofuran-1,1'-cyclohexane]-2',5'-diene-5'-carboxylic acid
4'-amino-4-[(4-amino-5-carboxy-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-7-hydroxy-3'-methoxy-3,6'-dioxospiro[2-benzofuran-1,1'-cyclohexane]-2',4'-diene-5'-carboxylic acid
(1'r,4r,5s,5's,14's,15's,16's,18's)-15'-(aminomethyl)-7'-bromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',9',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-6'(10'),7'-dien-11'-one
C17H21BrClN9O2 (497.06900160000004)
(1's,4s,5r,5'r,14's,15'r,16's,18'r)-15'-(aminomethyl)-7'-bromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',9',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-6'(10'),7'-dien-11'-one
C17H21BrClN9O2 (497.06900160000004)
15'-(aminomethyl)-8'-bromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',6',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-7',9'-dien-11'-one
C17H21BrClN9O2 (497.06900160000004)
(1'r,4r,5r,5's,14'r,15's,16'r,18's)-15'-(aminomethyl)-7'-bromo-16'-chloro-5-hydroxy-2,3'-diimino-2',4',9',12'-tetraazaspiro[imidazolidine-4,17'-pentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹⁴,¹⁸]octadecane]-6'(10'),7'-dien-11'-one
C17H21BrClN9O2 (497.06900160000004)