Exact Mass: 551.12513

Exact Mass Matches: 551.12513

Found 61 metabolites which its exact mass value is equals to given mass value 551.12513, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Benamicin C

11-O-Demethylpradimicinone II

C27H21NO12 (551.1063706)


   

N-Acetyl-N6,N6,O-tridemethylpuromycin-5-phosphate

N-Acetyl-N6,N6,O-tridemethylpuromycin-5-phosphate

C21H26N7O9P (551.1529556)


   

Delphinidin 3-(6'-malonyl-glucoside)

3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

C24H23O15+ (551.1036908)


Delphinidin 3-(6-malonyl-glucoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)

   

Lipoyl-GMP

{[(2R,3S,4R,5R)-5-{2-[5-(1,2-dithiolan-3-yl)pentanamido]-6-oxo-6,9-dihydro-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

C18H26N5O9PS2 (551.0909516)


Lipoyl-GMP is an intermediate in lipoic acid metabolism.In mammals, the posttranslational modification of unlipoylated apoproteins by addition of lipoic acid is done in a two-step enzymatic reaction using free lipoic acid. The free lipoic acid in the cell is first activated by reacting it. with adenosine triphosphate, using up two high energy phosphate bonds to form lipoyl-AMP (GMP), a process catalyzed by lipoate activating enzyme (LAE).41 The activated lipoyl moiety is subsequently used to form an amide bond with lysine residues of the unlipoylated apoprotein, which is catalyzed by lipoyl-AMP(GMP):N-lysine lipoyl transferase Interestingly, purified LAE from bovine liver mitochondria preferentially utilizes guanosine triphosphate, instead of adenosine triphosphate, for the activation of lipoic acid to form lipoyl-GMP.44 Furthermore, genetic analysis of LAE reveals that the enzyme is identical to. xenobiotic-metabolizing/medium-chain fatty acid:CoA ligase-III (XL-III) (also from bovine liver mitochondria). 44 Hence, there appear to be two pathways in which LAE is capable of activating carboxylic acids: one that uses guanosine triphosphate to form acyl-GMP; the other is dependent on adenosine triphosphate for the activation of carboxylic acids to the CoA thioester (acyl-CoA) via an. acyl-AMP intermediate. Lipoyl-GMP is an intermediate in lipoic acid metabolism.In mammals, the posttranslational modification of unlipoylated apoproteins by addition of lipoic acid is done in a two-step enzymatic reaction using free lipoic acid. The free lipoic acid in the cell is first activated by reacting it

   

Haloperidol glucuronide

(2S,3S,4S,5R)-6-{[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H31ClFNO8 (551.1722128)


Haloperidol glucuronide is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)

   

6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol

{[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(formyloxy)propoxy]phosphinic acid

C17H30NO17P (551.12513)


6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products.

   

6-Hydroxycyanidin 3-(6-malonylglucoside)

3- [ [ 6-O- (Carboxyacetyl) -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,6,7-trihydroxy-1-benzopyrylium

C24H23O15 (551.1036908)


   

Cys Asp Glu Trp

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Cys Asp Trp Glu

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

C23H29N5O9S (551.1685904000001)


   

Cys Glu Asp Trp

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Cys Glu Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Cys Trp Asp Glu

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

C23H29N5O9S (551.1685904000001)


   

Cys Trp Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Asp Cys Glu Trp

(4S)-4-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Asp Cys Trp Glu

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

C23H29N5O9S (551.1685904000001)


   

Asp Glu Cys Trp

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Asp Glu Trp Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Asp Trp Cys Glu

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

C23H29N5O9S (551.1685904000001)


   

Asp Trp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Glu Cys Asp Trp

(4S)-4-amino-4-{[(1R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Glu Cys Trp Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Glu Asp Cys Trp

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Glu Asp Trp Cys

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Glu Trp Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Glu Trp Asp Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Trp Cys Asp Glu

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

C23H29N5O9S (551.1685904000001)


   

Trp Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Trp Asp Cys Glu

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

C23H29N5O9S (551.1685904000001)


   

Trp Asp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

Trp Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C23H29N5O9S (551.1685904000001)


   

Trp Glu Asp Cys

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C23H29N5O9S (551.1685904000001)


   

benzyl 4-(1,3-dioxoisoindolin-2-yl)-2,2-dimethyl-3,5-dioxo-2,3,4,5-tetrahydro-3H-spiro[furan-2,9-imidazo[1,2-a]indole]-1(9aH)-carboxylate

benzyl 4-(1,3-dioxoisoindolin-2-yl)-2,2-dimethyl-3,5-dioxo-2,3,4,5-tetrahydro-3H-spiro[furan-2,9-imidazo[1,2-a]indole]-1(9aH)-carboxylate

C31H25N3O7 (551.1692419999999)


   

Delphinidin 3-(6-malonylglucoside)

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside

C24H23O15+ (551.1036908)


   
   

3-hydroxy-4-[[2-methoxy-5-[(phenylmethyl)sulfonyl]phenyl]azo]-N-phenyl-2-Naphthalenecarboxamide

3-hydroxy-4-[[2-methoxy-5-[(phenylmethyl)sulfonyl]phenyl]azo]-N-phenyl-2-Naphthalenecarboxamide

C31H25N3O5S (551.151484)


   

4,6-Bis(diphenylphosphino)-10H-phenoxazine

4,6-Bis(diphenylphosphino)-10H-phenoxazine

C36H27NOP2 (551.1567792000001)


   

N,N-Bis([1,1-biphenyl]-4-yl)-4-bromo-[1,1-biphenyl]-4-amine

N,N-Bis([1,1-biphenyl]-4-yl)-4-bromo-[1,1-biphenyl]-4-amine

C36H26BrN (551.1248496)


   

Thiothixene dihydrochloride dihydrate

Thiothixene dihydrochloride dihydrate

C23H35Cl2N3O4S2 (551.1445930000001)


C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

   
   

6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol

{[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(formyloxy)propoxy]phosphinic acid

C17H30NO17P (551.12513)


6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products. 6-(α-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(α-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(α-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products.

   
   
   

7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C21H27N8O6S2+ (551.1494902000001)


   

(4E)-4-[2-[2-carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(4E)-4-[2-[2-carboxy-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C24H27N2O13+ (551.1513072)


   

1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-)

1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-)

C17H29O16P2-3 (551.0930794000001)


   

(R)-lipoyl-GMP

(R)-lipoyl-GMP

C18H26N5O9PS2 (551.0909516)


An acyclic mixed acid anhydride that results from the formal condensation of the phosphoryl group of GMP with the carboxyl group of lipoic acid.

   

6-Hydroxycyanidin 3-(6-malonylglucoside)

6-Hydroxycyanidin 3-(6-malonylglucoside)

C24H23O15+ (551.1036908)


   
   
   

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C21H27N8O6S2+ (551.1494902000001)


   

(2R,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(2R,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C24H27N2O13+ (551.1513072)


   

(2S,4E)-4-[2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(2S,4E)-4-[2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C24H27N2O13+ (551.1513072)


   

(2S,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

(2S,4E)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

C24H27N2O13+ (551.1513072)


   

11-O-Demethylpradimicinone II

11-O-Demethylpradimicinone II

C27H21NO12 (551.1063706)


   

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside

delphinidin 3-O-(6-O-malonyl)-beta-D-glucoside

C24H23O15+ (551.1036908)


   

1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-)

1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-)

C17H29O16P2 (551.0930794000001)


A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) arising from deprotonation of the phosphate OH groups of 1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate); major species at pH 7.3.

   

BE1218

BE1218

C30H30FNO4S2 (551.1600192000001)


BE1218 is a liver X receptor (LXR) inverse agonist with IC50 values of 9 nM and 7 nM against LXRα and LXRβ, respectively[1].

   

Delphinidin 3-malonylglucoside

Delphinidin 3-(6'-malonylglucoside)

C24H23O15 (551.1036908)


   

(2r)-2-[({2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl}(hydroxy)methylidene)amino]propanoic acid

(2r)-2-[({2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl}(hydroxy)methylidene)amino]propanoic acid

C27H21NO12 (551.1063706)


   

(2r)-2-({[(10s,11s)-2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

(2r)-2-({[(10s,11s)-2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

C27H21NO12 (551.1063706)


   

2-({[(10s,11s)-2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

2-({[(10s,11s)-2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl](hydroxy)methylidene}amino)propanoic acid

C27H21NO12 (551.1063706)