Exact Mass: 463.1004

Exact Mass Matches: 463.1004

Found 24 metabolites which its exact mass value is equals to given mass value 463.1004, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

7-Methylthioheptyl glucosinolate

7-Methylthioheptyl glucosinolate

C15H29NO9S3 (463.1004)


Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

7-methylthioheptyl glucosinolate

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

C15H29NO9S3 (463.1004)


7-methylthioheptyl 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. 7-methylthioheptyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 7-methylthioheptyl glucosinolate can be found in a number of food items such as macadamia nut (m. tetraphylla), annual wild rice, herbs and spices, and horseradish tree, which makes 7-methylthioheptyl glucosinolate a potential biomarker for the consumption of these food products.

   

(Methylsulfanyl)heptyl glucosinolate

(Methylsulfanyl)heptyl glucosinolate

C15H29NO9S3 (463.1004)


Annotation level-3

   

[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

C14H25NO14S (463.0996)


   

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-8-methylsulfanyl-N-sulfooxyoctanimidothioate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-8-methylsulfanyl-N-sulfooxyoctanimidothioate

C15H29NO9S3 (463.1004)


   

beta-D-Galp6S-(1->4)-beta-D-GlcpNAc

beta-D-Galp6S-(1->4)-beta-D-GlcpNAc

C14H25NO14S (463.0996)


An amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 6-O-sulfo-beta-D-galactosyl residue attached at position 4.

   

beta-D-Galp3S-(1->3-)-beta-D-GlcpNAc

beta-D-Galp3S-(1->3-)-beta-D-GlcpNAc

C14H25NO14S (463.0996)


An amino disaccharide composed of 3-sulfated beta-D-galactose and N-acetyl-beta-D-glucosaminyl residues in beta-(1->3) linkage.

   

N-acetyllactosamine-6-sulfate

N-acetyllactosamine-6-sulfate

C14H25NO14S (463.0996)


   

beta-D-Galp3S-(1->3-)-alpha-D-GalpNAc

beta-D-Galp3S-(1->3-)-alpha-D-GalpNAc

C14H25NO14S (463.0996)


An amino disaccharide composed of 3-sulfated beta-D-galactose and N-acetyl-alpha-D-galactosaminyl residues in beta-(1->3) linkage.

   

Gal3S(b1-4)GlcNAc

Gal3S(b1-4)GlcNAc

C14H25NO14S (463.0996)


   

Gal(b1-3)b-GlcNAc6S

Gal(b1-3)b-GlcNAc6S

C14H25NO14S (463.0996)


   

beta-D-Galp3S-(1->4)-beta-D-GlcpNAc

beta-D-Galp3S-(1->4)-beta-D-GlcpNAc

C14H25NO14S (463.0996)


An amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 3-sulfated beta-D-galactosyl residue attached at position 4.

   

beta-D-Galp4S-(1->4)-beta-D-GlcpNAc

beta-D-Galp4S-(1->4)-beta-D-GlcpNAc

C14H25NO14S (463.0996)


An amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 4-O-sulfo-beta-D-galactosyl residue attached at position 4.

   

beta-D-Galp6S-(1->3)-beta-D-GlcpNAc

beta-D-Galp6S-(1->3)-beta-D-GlcpNAc

C14H25NO14S (463.0996)


   

2-acetamido-2-deoxy-3-O-(6-O-sulfo-beta-D-glucosyl)-beta-D-galactose

2-acetamido-2-deoxy-3-O-(6-O-sulfo-beta-D-glucosyl)-beta-D-galactose

C14H25NO14S (463.0996)


An amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a 6-O-sulfo-beta-D-glucosyl residue attached at the 3-position.

   

GlcNAc6S(b1-6)Gal

GlcNAc6S(b1-6)Gal

C14H25NO14S (463.0996)


   

Gal3S(b1-3)GlcNAc

Gal3S(b1-3)GlcNAc

C14H25NO14S (463.0996)


   

Gal6S(b1-4)GlcNAc

Gal6S(b1-4)GlcNAc

C14H25NO14S (463.0996)


   

GlcNAc6S(b1-3)Gal

GlcNAc6S(b1-3)Gal

C14H25NO14S (463.0996)


   

Gal2S(b1-4)GlcNAc

Gal2S(b1-4)GlcNAc

C14H25NO14S (463.0996)


   

Gal2S(b1-4)b-GlcNAc

Gal2S(b1-4)b-GlcNAc

C14H25NO14S (463.0996)


   

Glc6S(b1-3)b-GlcNAc

Glc6S(b1-3)b-GlcNAc

C14H25NO14S (463.0996)


   

{[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino}oxysulfonic acid

{[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino}oxysulfonic acid

C15H29NO9S3 (463.1004)


   

[(e)-[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino]oxysulfonic acid

[(e)-[8-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}octylidene]amino]oxysulfonic acid

C15H29NO9S3 (463.1004)