Exact Mass: 403.0971

Exact Mass Matches: 403.0971

Found 50 metabolites which its exact mass value is equals to given mass value 403.0971, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Propinol adenylate

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(propanoyloxy)phosphinic acid

C13H18N5O8P (403.0893)


Propinol adenylate is involved in the propanoate metabolism pathway. Propinol adenylate can be reversibly produced from propanoate or propanoyl-CoA by acetyl-CoA synthetase [EC:6.2.1.1] and propionyl-CoA synthetase [EC:6.2.1.17]. [HMDB] Propinol adenylate is involved in the propanoate metabolism pathway. Propinol adenylate can be reversibly produced from propanoate or propanoyl-CoA by acetyl-CoA synthetase [EC:6.2.1.1] and propionyl-CoA synthetase [EC:6.2.1.17].

   

6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate

6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate

C12H22NO12P (403.088)


A myo-inositol cyclic phosphate that is 1D-myo-inositol 1,2-cyclic phosphate having an alpha-D-glucosaminyl residue attached at the 6-position.

   

4-Methylpentyl glucosinolate

{[(e)-(5-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}hexylidene)amino]oxy}sulphonic acid

C13H25NO9S2 (403.0971)


4-Methylpentyl glucosinolate is found in brassicas. 4-Methylpentyl glucosinolate is present in radish (Raphanus sativus). Present in radish (Raphanus sativus). 4-Methylpentyl glucosinolate is found in brassicas and radish.

   

Hexyl glucosinolate

{[(e)-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene)amino]oxy}sulphonic acid

C13H25NO9S2 (403.0971)


N-hexyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. N-hexyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). N-hexyl glucosinolate can be found in radish, which makes N-hexyl glucosinolate a potential biomarker for the consumption of this food product. Hexyl glucosinolate is found in brassicas. Hexyl glucosinolate is present in radish (Raphanus sativus) and in kohlrabi aroma.

   

3-Methylpentyl glucosinolate

{[(e)-(4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}hexylidene)amino]oxy}sulphonic acid

C13H25NO9S2 (403.0971)


Constituent of Raphanus sativus (radish) and Wasabia japonica (Japanese horseradish). 3-Methylpentyl glucosinolate is found in many foods, some of which are brassicas, wasabi, radish, and root vegetables. 3-Methylpentyl glucosinolate is found in brassicas. 3-Methylpentyl glucosinolate is a constituent of Raphanus sativus (radish) and Wasabia japonica (Japanese horseradish)

   

Pelargonidin 3-arabinoside

3-{[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium

C20H19O9 (403.1029)


Pelargonidin 3-arabinoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-arabinoside can be found in a number of food items such as gooseberry, strawberry, black elderberry, and blackcurrant, which makes pelargonidin 3-arabinoside a potential biomarker for the consumption of these food products.

   

Pelargonidin 3-arabinoside

Pelargonidin 3-arabinoside

C20H19O9 (403.1029)


   

Oganomycin E

Deacetyl-7-methoxycephalosporin C

C15H21N3O8S (403.1049)


   

Taccalin

3,5,7,4-Tetrahydroxyflavylium 3-xyloside

C20H19O9 (403.1029)


   

TEB_M404

TEB_M404

C16H23ClN3O5P (403.1064)


CONFIDENCE Transformation product, tentative ID (Level 2b); INTERNAL_ID 2503

   

N,N-Dimethyl-3,4-dihydro-1-acetyl-1,6,7-trimethoxy-8-(methyldithio)-1H-2-benzothiopyran-5-amine

N,N-Dimethyl-3,4-dihydro-1-acetyl-1,6,7-trimethoxy-8-(methyldithio)-1H-2-benzothiopyran-5-amine

C17H25NO4S3 (403.0946)


   

N-(1-Carboxy-2-methylbutyl)-Lachnanthopyridone

N-(1-Carboxy-2-methylbutyl)-Lachnanthopyridone

C23H17NO6 (403.1056)


   

5-Hexenyl glucosinolate

5-Hexenyl glucosinolate

C13H25NO9S2 (403.0971)


   

3-(Methylthiomethyl)cephalosporin C

3-(Methylthiomethyl)cephalosporin C

C15H21N3O6S2 (403.0872)


   

Pelargonidin 3-arabinoside

Pelargonidin 3-arabinoside

[C20H19O9]+ (403.1029)


   

4-Methylpentyl glucosinolate

{[(E)-(5-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxy}sulfonic acid

C13H25NO9S2 (403.0971)


Annotation level-3

   

Asn-Tyr-OH

(S)-2-(3-(2-amino-2-oxoethoxy)-4-nitrobenzamido)-3-(4-hydroxyphenyl)propanoic acid

C18H17N3O8 (403.1016)


   

3-Methylpentyl glucosinolate

{[(E)-(4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxy}sulfonic acid

C13H25NO9S2 (403.0971)


   

Hexyl glucosinolate

{[(E)-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene)amino]oxy}sulfonic acid

C13H25NO9S2 (403.0971)


   

Pelargonidin 3-arabinoside

Pelargonidin 3-arabinoside

C20H19O9+ (403.1029)


   

2-Benzofurancarboxamide,3,6-dimethyl-N-(tetrahydro-1,1-dioxido-3-thienyl)-N-(2-thienylmethyl)-(9CI)

2-Benzofurancarboxamide,3,6-dimethyl-N-(tetrahydro-1,1-dioxido-3-thienyl)-N-(2-thienylmethyl)-(9CI)

C20H21NO4S2 (403.0912)


   

Cyanomethyl 2,3,4,6-Tetra-O-acetyl-1-thio--D-galactopyranoside

Cyanomethyl 2,3,4,6-Tetra-O-acetyl-1-thio--D-galactopyranoside

C16H21NO9S (403.0937)


   

disodium dodecyl 4-sulphonatophthalate

disodium dodecyl 4-sulphonatophthalate

C23H17NO6 (403.1056)


   

tris(methylcyclopentadienyl)erbium

tris(methylcyclopentadienyl)erbium

C18H21Er (403.0946)


   

[(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)thio]acetonitrile

2-[(2,3,4,6-Tetra-O-acetyl-alpha-D-mannopyranosyl)thio]acetonitrile

C16H21NO9S (403.0937)


   

3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-D-GLUCOPYRANOSYL BROMIDE

3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-D-GLUCOPYRANOSYL BROMIDE

C14H17F4NO8 (403.089)


   

2-[2-[4-(2-Fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one

2-[2-[4-(2-Fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one

C19H18FN3O4S (403.1002)


   

ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate

ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate

C16H22ClN3O5S (403.0969)


   

2-[(1r)-2-Carboxy-1-(Naphthalen-1-Ylmethyl)ethyl]-1,3-Dioxo-2,3-Dihydro-1h-Isoindole-5-Carboxylic Acid

2-[(1r)-2-Carboxy-1-(Naphthalen-1-Ylmethyl)ethyl]-1,3-Dioxo-2,3-Dihydro-1h-Isoindole-5-Carboxylic Acid

C23H17NO6 (403.1056)


   

5-(4-chlorophenyl)-1-hydroxy-2,2-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-yl dihydrogen phosphate

5-(4-chlorophenyl)-1-hydroxy-2,2-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-yl dihydrogen phosphate

C16H23ClN3O5P (403.1064)


   

2-Glutathionyl-2-methylbut-3-enoate

2-Glutathionyl-2-methylbut-3-enoate

C15H21N3O8S-2 (403.1049)


   

[(3R,4R,5S,6R)-2-[[(3aS,4R,5S,6S,7R,7aR)-5,6,7-trihydroxy-2-oxido-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium

[(3R,4R,5S,6R)-2-[[(3aS,4R,5S,6S,7R,7aR)-5,6,7-trihydroxy-2-oxido-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphol-4-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium

C12H22NO12P (403.088)


   

(3aS,4R,5S,6S,7R,7aR)-4-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-5,6,7-triol

(3aS,4R,5S,6S,7R,7aR)-4-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-5,6,7-triol

C12H22NO12P (403.088)


   

3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)chromenylium-5,7-diol

3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)chromenylium-5,7-diol

C20H19O9+ (403.1029)


   

4-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide

4-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide

C22H17N3O3S (403.0991)


   

2-(1H-benzimidazol-2-ylthio)-N-(2-methoxy-3-dibenzofuranyl)acetamide

2-(1H-benzimidazol-2-ylthio)-N-(2-methoxy-3-dibenzofuranyl)acetamide

C22H17N3O3S (403.0991)


   

N-(2-bromophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

N-(2-bromophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

C19H22BrN3O2 (403.0895)


   

[4-Methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide

[4-Methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide

C16H17N7O4S (403.1063)


   

1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea

1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea

C19H21N3O3S2 (403.1024)


   

1-(4-Phenylphenyl)-2-(3-thiophen-2-yl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl)ethanone

1-(4-Phenylphenyl)-2-(3-thiophen-2-yl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl)ethanone

C23H19N2OS2+ (403.0939)


   

(3aS,4R,5S,6S,7R,7aR)-4-[(2-azaniumyl-2-deoxy-alpha-D-glucopyranosyl)oxy]-5,6,7-trihydroxyhexahydro-1,3,2-benzodioxaphosphol-2-olate 2-oxide

(3aS,4R,5S,6S,7R,7aR)-4-[(2-azaniumyl-2-deoxy-alpha-D-glucopyranosyl)oxy]-5,6,7-trihydroxyhexahydro-1,3,2-benzodioxaphosphol-2-olate 2-oxide

C12H22NO12P (403.088)


   

propanoyl-AMP

propanoyl-AMP

C13H18N5O8P (403.0893)


A purine ribonucleoside 5-monophosphate consisting of adenosine 5-monophosphate where one of the hydroxy groups of the phosphate has been condensed with propionic acid.

   

6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion

6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion

C12H22NO12P (403.088)


Zwitterionic form 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate having an anionic phosphate group and a protonated nitrogen.

   

GlyRS-IN-1

GlyRS-IN-1

C12H17N7O7S (403.091)


GlyRS-IN-1 is a glycyl-tRNA synthase (GlyRS) inhibitor extracted from patent WO 2017066459 A1. GlyRS-IN-1 can also inhibit the growth of bacteria[1].

   

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C20H19O9]+ (403.1029)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C20H19O9]+ (403.1029)


   

3-{[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

3-{[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

[C20H19O9]+ (403.1029)


   

(7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-(hydroxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-(hydroxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C15H21N3O8S (403.1049)


   

1-[5-(dimethylamino)-1,6,7-trimethoxy-8-(methyldisulfanyl)-3,4-dihydro-2-benzothiopyran-1-yl]ethanone

1-[5-(dimethylamino)-1,6,7-trimethoxy-8-(methyldisulfanyl)-3,4-dihydro-2-benzothiopyran-1-yl]ethanone

C17H25NO4S3 (403.0946)


   

(6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-(hydroxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-(hydroxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C15H21N3O8S (403.1049)