Exact Mass: 664.1444

Exact Mass Matches: 664.1444

Found 47 metabolites which its exact mass value is equals to given mass value 664.1444, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Nadide

beta-Nicotinamide adenine dinucleotide hydrate

[C21H28N7O14P2]+ (664.1169)


[Spectral] NAD+ (exact mass = 663.10912) and 3,4-Dihydroxy-L-phenylalanine (exact mass = 197.06881) and Cytidine (exact mass = 243.08552) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] NAD+ (exact mass = 663.10912) and NADP+ (exact mass = 743.07545) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid)

6,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaen-21-yl 4-hydroxybenzoate

C37H28O12 (664.1581)


ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid) is found in fruits. ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid) is a constituent of Prunus armeniaca (apricot). Constituent of Prunus armeniaca (apricot). ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid) is found in fruits.

   

Clofazimine glucuronide

(2S,3S,4S,5R)-6-(2-{[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]amino}propoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C33H30Cl2N4O7 (664.1491)


Clofazimine glucuronide is a metabolite of clofazimine. Clofazimine is a fat-soluble riminophenazine dye used in combination with rifampicin and dapsone as multidrug therapy (MDT) for the treatment of leprosy. It has been used investigationally in combination with other antimycobacterial drugs to treat Mycobacterium avium infections in AIDS patients and Mycobacterium avium paratuberculosis infection in Crohns disease patients. (Wikipedia)

   

Apigenin 7-(6-malonylneohesperidoside)

Apigenin 7-(6-malonylneohesperidoside)

C30H32O17 (664.1639)


   
   
   

Dideoxyverticillin A

Dideoxyverticillin A

C30H28N6O4S4 (664.1055)


   

Apigenin 7- (6'-malonylneohesperidoside)

5,7,4-Trihydroxyflavone 7-glucuronide-4- [ 6"-malonylrhamnosyl- (1->2) -glucoside ]

C30H32O17 (664.1639)


   

Pelargonidin 3-O-[2-O-(beta-D-xylopyranosyl)-6-O-(methyl-malonyl)-bata-D-galactopyranoside]

Pelargonidin 3-O-[2-O-(beta-D-xylopyranosyl)-6-O-(methyl-malonyl)-bata-D-galactopyranoside]

C30H32O17 (664.1639)


   

Rutin hydrate

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one trihydrate

C27H36O19 (664.1851)


   

NAD+

NAD+

[C21H28N7O14P2]+ (664.1169)


IPB_RECORD: 2581; CONFIDENCE confident structure

   

beta-Nicotinamide adenine dinucleotide hydrate

beta-Nicotinamide adenine dinucleotide hydrate

[C21H28N7O14P2]+ (664.1169)


   
   

ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid)

6,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaen-21-yl 4-hydroxybenzoate

C37H28O12 (664.1581)


   

Di-μ-Methoxobis(1,5-cyclooctadiene)diiridiuM(I)

Di-μ-Methoxobis(1,5-cyclooctadiene)diiridiuM(I)

C18H30Ir2O2 (664.1505)


   

3h-indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2h-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-5-sulfo-, inner salt, sodium salt

3h-indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2h-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-5-sulfo-, inner salt, sodium salt

C32H34ClN2NaO6S2 (664.1444)


   

disodium 1-amino-4-(4-dodecylsulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

disodium 1-amino-4-(4-dodecylsulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

C32H37N2NaO8S2 (664.1889)


   

4-methylbenzenesulfonic acid,prop-2-enyl (2R)-2-amino-3-[[(2R)-2-amino-3-oxo-3-prop-2-enoxypropyl]disulfanyl]propanoate

4-methylbenzenesulfonic acid,prop-2-enyl (2R)-2-amino-3-[[(2R)-2-amino-3-oxo-3-prop-2-enoxypropyl]disulfanyl]propanoate

C26H36N2O10S4 (664.1253)


   

Imidocarbonsaeure-(diaethoxyphosphinyl)-dithio-S.S-dibenzyl-S.S-ethylenester

Imidocarbonsaeure-(diaethoxyphosphinyl)-dithio-S.S-dibenzyl-S.S-ethylenester

C26H38N2O6P2S4 (664.1088)


   
   

(Z)-1-benzylsulfanyl-1-[2-[(Z)-C-benzylsulfanyl-N-diethoxyphosphorylcarbonimidoyl]sulfanylethylsulfanyl]-N-diethoxyphosphorylmethanimine

(Z)-1-benzylsulfanyl-1-[2-[(Z)-C-benzylsulfanyl-N-diethoxyphosphorylcarbonimidoyl]sulfanylethylsulfanyl]-N-diethoxyphosphorylmethanimine

C26H38N2O6P2S4 (664.1088)


   
   

mannose-(1D-myo-inositol 1-phosphate)2

mannose-(1D-myo-inositol 1-phosphate)2

C18H34O22P2 (664.1017)


A phosphorylated mannosylinositol compound which constitutes the head group of some mannosylinositol phosphorylceramides (the M(IP)2Cs), and is a product of their catabolism.

   

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-(ethylamino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-(ethylamino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate

C18H31N6O15P3 (664.106)


   

[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyoxan-2-yl]methyl hydrogen phosphate

[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyoxan-2-yl]methyl hydrogen phosphate

C18H34O22P2 (664.1017)


   

[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

C21H28N7O14P2+ (664.1169)


   

Clofazimine glucuronide

Clofazimine glucuronide

C33H30Cl2N4O7 (664.1491)


   

Acnadh

Acnadh

C22H30N6O14P2 (664.1295)


A dinucleotide that is NADH with the amide group om the nictotinamide ring replaced with an acetyl group.

   

3-(6-Carboxyhexyl)-2-{3-[3-(5-carboxypentyl)-6-sulfo-1,3-benzoxazol-3-ium-2-yl]prop-2-en-1-ylidene}-2,3-dihydro-1,3-benzoxazole-6-sulfonate

3-(6-Carboxyhexyl)-2-{3-[3-(5-carboxypentyl)-6-sulfo-1,3-benzoxazol-3-ium-2-yl]prop-2-en-1-ylidene}-2,3-dihydro-1,3-benzoxazole-6-sulfonate

C29H32N2O12S2 (664.1397)


   

(2S,3S,4S,5R)-6-[2-(4-chloroanilino)-5-(4-chlorophenyl)-3-propan-2-yliminophenazin-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[2-(4-chloroanilino)-5-(4-chlorophenyl)-3-propan-2-yliminophenazin-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C33H30Cl2N4O7 (664.1491)


   

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

C21H28N7O14P2+ (664.1169)


   

[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl]oxyoxan-2-yl]methyl hydrogen phosphate

[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl]oxyoxan-2-yl]methyl hydrogen phosphate

C18H34O22P2 (664.1017)


   

[3H] Nicotinamide adenine dinucleotide

[3H] Nicotinamide adenine dinucleotide

C21H28N7O14P2+ (664.1169)


   

[(5S,12S,13S,16S)-16-(2-hydroxypropan-2-yl)-12-(4-(37Cl)chloranyl-4-chloropentyl)-4,4,13-trimethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraen-5-yl] acetate

[(5S,12S,13S,16S)-16-(2-hydroxypropan-2-yl)-12-(4-(37Cl)chloranyl-4-chloropentyl)-4,4,13-trimethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraen-5-yl] acetate

C27H34Cl2N2O9S2 (664.1083)


   

NICOTINAMIDE-adenine-dinucleotide

NICOTINAMIDE-adenine-dinucleotide

C21H28N7O14P2+ (664.1169)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

NAD(+)

NAD(+)

C21H28N7O14P2 (664.1169)


The oxidised form of nicotinamide adenine dinucleotide found in all living cells. In metabolism, NAD(+) is involved in redox reactions, carrying electrons from one reaction to another.

   

Ac-DEVD-CMK (TFA)

Ac-DEVD-CMK (TFA)

C23H32ClF3N4O13 (664.1606)


Ac-DEVD-CMK (Caspase-3 Inhibitor III) TFA is a selective and irreversible caspase-3 inhibitor. Ac-DEVD-CMK TFA significantly inhibits apoptosis induced by high levels of glucose or 3,20-dibenzoate (IDB; HY-137295). Ac-DEVD-CMK TFA can be used in a variety of experimental approaches to inhibit apoptosis[1][2][3].

   

Rutin (trihydrate)

Rutin (trihydrate)

C27H36O19 (664.1851)


Rutin (Rutoside) trihydrate is a multifunctional natural flavonoid glycoside. Rutin trihydrate has been demonstrating excellent antioxidant, anti-inflammatory, anti-diabetic, and anti-carcinogenic properties. Cardioprotective and neuroprotective activities [1][2][3]. Rutin (Rutoside) trihydrate is a multifunctional natural flavonoid glycoside. Rutin trihydrate has been demonstrating excellent antioxidant, anti-inflammatory, anti-diabetic, and anti-carcinogenic properties. Cardioprotective and neuroprotective activities [1][2][3].

   

5-chloro-3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-({[(2s,4s,5s)-4-hydroxy-5-(methylamino)oxan-2-yl]oxy}methyl)-5-methoxyoxan-2-yl]-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one

5-chloro-3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-({[(2s,4s,5s)-4-hydroxy-5-(methylamino)oxan-2-yl]oxy}methyl)-5-methoxyoxan-2-yl]-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one

C33H33ClN4O9 (664.1936)


   

3,4',5,7-tetrahydroxyflavan(2→7,4→8)-3,4',5,7-tetrahydroxyflavan; (2s,2''r,3s,3''r,4s)-form,3-o-(4-hydroxybenzoyl)

NA

C37H28O12 (664.1581)


{"Ingredient_id": "HBIN007266","Ingredient_name": "3,4',5,7-tetrahydroxyflavan(2\u21927,4\u21928)-3,4',5,7-tetrahydroxyflavan; (2s,2''r,3s,3''r,4s)-form,3-o-(4-hydroxybenzoyl)","Alias": "NA","Ingredient_formula": "C37H28O12","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8321","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-[(2r,3r,4r,5s,6r)-6-({[(2s,4s,5s)-5-amino-4-hydroxyoxan-2-yl]oxy}methyl)-3,4-dihydroxy-5-methoxyoxan-2-yl]-5-chloro-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

3-[(2r,3r,4r,5s,6r)-6-({[(2s,4s,5s)-5-amino-4-hydroxyoxan-2-yl]oxy}methyl)-3,4-dihydroxy-5-methoxyoxan-2-yl]-5-chloro-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

C33H33ClN4O9 (664.1936)


   

5-chloro-3-[3,4-dihydroxy-6-({[4-hydroxy-5-(methylamino)oxan-2-yl]oxy}methyl)-5-methoxyoxan-2-yl]-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one

5-chloro-3-[3,4-dihydroxy-6-({[4-hydroxy-5-(methylamino)oxan-2-yl]oxy}methyl)-5-methoxyoxan-2-yl]-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one

C33H33ClN4O9 (664.1936)


   

12-(4,4-dichloropentyl)-16-(2-hydroxypropan-2-yl)-4,4,13-trimethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.1⁶,⁹]henicosa-1(19),6(21),8,17(20)-tetraen-5-yl acetate

12-(4,4-dichloropentyl)-16-(2-hydroxypropan-2-yl)-4,4,13-trimethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.1⁶,⁹]henicosa-1(19),6(21),8,17(20)-tetraen-5-yl acetate

C27H34Cl2N2O9S2 (664.1083)


   

3-(6-{[(5-amino-4-hydroxyoxan-2-yl)oxy]methyl}-3,4-dihydroxy-5-methoxyoxan-2-yl)-5-chloro-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

3-(6-{[(5-amino-4-hydroxyoxan-2-yl)oxy]methyl}-3,4-dihydroxy-5-methoxyoxan-2-yl)-5-chloro-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

C33H33ClN4O9 (664.1936)


   

10a,10'a-dimethyl (5s,5's,6s,10ar,10'ar)-5'-(acetyloxy)-1,1',5,9-tetrahydroxy-3',6-dimethyl-8,9'-dioxo-5h,5'h,6h,6'h,7h,7'h-[2,4'-bixanthene]-10a,10'a-dicarboxylate

10a,10'a-dimethyl (5s,5's,6s,10ar,10'ar)-5'-(acetyloxy)-1,1',5,9-tetrahydroxy-3',6-dimethyl-8,9'-dioxo-5h,5'h,6h,6'h,7h,7'h-[2,4'-bixanthene]-10a,10'a-dicarboxylate

C34H32O14 (664.1792)


   

3-[(2r,3s,4s,5s,6r)-6-({[(2s,4s,5s)-5-amino-4-hydroxyoxan-2-yl]oxy}methyl)-3,4-dihydroxy-5-methoxyoxan-2-yl]-5-chloro-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

3-[(2r,3s,4s,5s,6r)-6-({[(2s,4s,5s)-5-amino-4-hydroxyoxan-2-yl]oxy}methyl)-3,4-dihydroxy-5-methoxyoxan-2-yl]-5-chloro-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

C33H33ClN4O9 (664.1936)