Exact Mass: 551.1063706

Exact Mass Matches: 551.1063706

Found 39 metabolites which its exact mass value is equals to given mass value 551.1063706, 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

   

Gadopentetic acid

1,1,4,7,7-pentakis(carboxymethyl)-hexahydro-1H-1,3-diaza-2-gadolinacyclopenta[1,2-a]1,3-diaza-2-gadolinacyclopentane-1,7,4-triium

C14H23GdN3O10 (551.0624488000001)


Gadopentetic acid, also known as gadopentetate, belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. Gadopentetic acid is considered to be a practically insoluble (in water) and relatively neutral molecule.

   

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)


   
   

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)


   

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.

   
   

2-[Bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;gadolinium(3+)

2-[Bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;gadolinium(3+)

C14H23GdN3O10+3 (551.0624488000001)


V - Various > V08 - Contrast media > V08C - Magnetic resonance imaging contrast media > V08CA - Paramagnetic contrast media

   
   

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.

   

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,11s,13r)-22-chloro-2,5,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),4,6,8,17,20,22,24,27-nonaene-3,10,26-trione

(2r,11s,13r)-22-chloro-2,5,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),4,6,8,17,20,22,24,27-nonaene-3,10,26-trione

C27H18ClNO10 (551.0619198)


   

(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)


   

bethogenon

NA

C24H27N2O13 (551.1513072)


{"Ingredient_id": "HBIN018363","Ingredient_name": "bethogenon","Alias": "NA","Ingredient_formula": "C24H27N2O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30653","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2s,4s,5r)-4-{[(2r,3r,4r,5s,6r)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)-n-(2-sulfoethyl)pyrrolidine-2-carboximidic acid

(2s,4s,5r)-4-{[(2r,3r,4r,5s,6r)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)-n-(2-sulfoethyl)pyrrolidine-2-carboximidic acid

C16H29N3O14S2 (551.1090894)


   

22-chloro-2,5,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),4,6,8,17,20,22,24,27-nonaene-3,10,26-trione

22-chloro-2,5,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),4,6,8,17,20,22,24,27-nonaene-3,10,26-trione

C27H18ClNO10 (551.0619198)