Exact Mass: 497.09361240000004

Exact Mass Matches: 497.09361240000004

Found 54 metabolites which its exact mass value is equals to given mass value 497.09361240000004, 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+ (497.1024782)

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 (497.1182724)

Cys Cys Ser Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C20H27N5O6S2 (497.14026820000004)

Cys Cys Trp Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C20H27N5O6S2 (497.14026820000004)

Cys Ser Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C20H27N5O6S2 (497.14026820000004)

Cys Ser Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C20H27N5O6S2 (497.14026820000004)

Cys Trp Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C20H27N5O6S2 (497.14026820000004)

Cys Trp Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C20H27N5O6S2 (497.14026820000004)

Ser Cys Cys Trp

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C20H27N5O6S2 (497.14026820000004)

Ser Cys Trp Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C20H27N5O6S2 (497.14026820000004)

Ser Trp Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C20H27N5O6S2 (497.14026820000004)

Trp Cys Cys Ser

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C20H27N5O6S2 (497.14026820000004)

Trp Cys Ser Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C20H27N5O6S2 (497.14026820000004)

Trp Ser Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C20H27N5O6S2 (497.14026820000004)

NI-(S)-BPB-GLY

C27H25N3NiO3 (497.12492899999995)

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

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)

Levomefolate calcium

C20H23CaN7O6 (497.1335648)

Calcium N5-methyltetrahydrofolate

C20H23CaN7O6 (497.1335648)

1,3-Thiazol-4-ylmethyl [(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenyl -2-hexanyl]carbamate dihydrochloride

C23H29Cl2N3O3S (497.1306584)

Fmoc-O-(benzylphospho)-L-serine

C25H24NO8P (497.1239474)

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

C18H24ClNO13 (497.09361240000004)

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)

Tributylmethylphosphonium bis(trifluoromethanesulfonyl)imide

C15H30F6NO4PS2 (497.1257982000001)

2-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]azo]benzothiazol-6-yl thiocyanate

C23H23N5O4S2 (497.1191398)

Ertapenem Sodium

1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R,5S,6S)-

C22H24N3NaO7S (497.12325940000005)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

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

C17H19N7O5S3 (497.0609764)

[(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)

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 (497.1037964)

(2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyethyl)acetamide

C22H25F2N3O6S (497.1432054)

[(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+ (497.1150504)

2-Methyl-1-hydroxypropyl-TPP

2-methyl-1-hydroxypropylthiamine diphosphate

C16H27N4O8P2S (497.1024782)

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

FAAH inhibitor 1

C24H23N3O3S3 (497.0901488)

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

C14H27NO12S3 (497.0695342)

(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 (497.06900160000004)

(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

C22H15N3O11 (497.070656)

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 (497.070656)

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 (497.070656)

methyl (15s,16s,18r)-3,10,16-trihydroxy-15-methyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1¹⁵,¹⁸.0²,⁶.0⁷,²⁷.0⁸,¹³.0¹⁹,²⁶.0²⁰,²⁵]octacosa-1(26),2(6),3,7(27),8(13),9,11,20(25),21,23-decaene-16-carboxylate

methyl (15s,16s,18r)-3,10,16-trihydroxy-15-methyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1¹⁵,¹⁸.0²,⁶.0⁷,²⁷.0⁸,¹³.0¹⁹,²⁶.0²⁰,²⁵]octacosa-1(26),2(6),3,7(27),8(13),9,11,20(25),21,23-decaene-16-carboxylate

C27H19N3O7 (497.12229440000004)

(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 (497.06900160000004)

(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

(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

(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)