Exact Mass: 497.069

Exact Mass Matches: 497.069

Found 35 metabolites which its exact mass value is equals to given mass value 497.069, 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

3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-(1-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-3-ium

C16H27N4O8P2S+ (497.1025)

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]].

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

7-Aflatoxin B1-fapyguanine

C22H19N5O9 (497.1183)

Lenampicillin hydrochloride

C21H24ClN3O7S (497.1023)

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 (497.0394)

2-Methyl-2-propanyl {3-[4-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2, 3-b]pyridin-3-yl]benzyl}carbamate

C25H24ClN3O4S (497.1176)

2-CHLORO-4-NITROPHENYL-β-D-CELLOBIOSIDE

C18H24ClNO13 (497.0936)

calcium trisodium pentetate

Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt Hydrate

C14H18CaN3Na3O10 (497.0311)

D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D020011 - Protective Agents > D000931 - Antidotes

2-chloro-4-nitrophenyl-beta-d-lactoside

C18H24ClNO13 (497.0936)

4-Methylumbelliferyl 6-Sulfo-2-acetamido-2-deoxy-b-D-glucopyranoside, Potassium Salt

C18H20KNO11S (497.0394)

ethyl 5-acetoxy-6-broMo-2-((1,3-dioxo-2,3-dihydro-1H-inden-2-yl)Methyl)-1-Methyl-1H-indole-3-carboxylate

C24H20BrNO6 (497.0474)

(S)-2-(3-(Benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic Acid

C17H19N7O5S3 (497.061)

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2,3-dihydroxybenzoyl)amino] phosphate

C17H18N6O10P- (497.0822)

2-Chloro-5-[[5-[[5-(4,5-Dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-4-oxo-2-thiazolyl]amino]benzoic acid

C23H16ClN3O6S (497.0448)

2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide

C20H20ClN3O4S3 (497.0304)

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

C21H23BrF3N5O (497.1038)

[(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

C17H29N4O8Se+ (497.1151)

2-Methyl-1-hydroxypropyl-TPP

2-methyl-1-hydroxypropylthiamine diphosphate

C16H27N4O8P2S (497.1025)

The diphosphate of thiamine(1+), substituted at C-2 of the thiazole ring by a hydroxylated sec-butyl group.

FAAH inhibitor 1

C24H23N3O3S3 (497.0901)

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 (497.09)

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 (497.069)

[(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

C14H27NO12S3 (497.0695)

(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

(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 (497.069)

(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

C22H15N3O11 (497.0707)

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

C22H15N3O11 (497.0707)

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

C22H15N3O11 (497.0707)

(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

(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 (497.069)

(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

(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 (497.069)

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 (497.069)

(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

(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 (497.069)