Exact Mass: 419.9837

Exact Mass Matches: 419.9837

Found 85 metabolites which its exact mass value is equals to given mass value 419.9837, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Inositol 1,3,4-trisphosphate

(2,3,5-Trihydroxy-4,6-diphosphonooxycyclohexyl) dihydrogen phosphate

C6H15O15P3 (419.9624)


Inositol 1,3,4-trisphosphate (CAS: 98102-63-7), also known as Ins(1,3,4)P3 or I3S, belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. Within humans, inositol 1,3,4-trisphosphate participates in several enzymatic reactions. In particular, inositol 1,3,4-trisphosphate can be converted into 1D-myo-inositol 1,3,4,6-tetrakisphosphate through the action of the enzyme inositol-tetrakisphosphate 1-kinase. In addition, inositol 1,3,4-trisphosphate can be converted into inositol 1,3,4,5-tetraphosphate through its interaction with the enzyme inositol-tetrakisphosphate 1-kinase. In humans, inositol 1,3,4-trisphosphate is involved in inositol metabolism. Inositol 1,3,4-trisphosphate is a specific regulator of cellular signalling. A specific regulator of cellular signaling [HMDB]

   

myo-Inositol 1,4,5-trisphosphate

{[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C6H15O15P3 (419.9624)


myo-Inositol 1,4,5-trisphosphate (CAS: 20298-95-7), also known as Ins(1,4,5)P3 or InsP3, is an intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane (PMID: 22453946). It is released into the cytoplasm where it releases calcium ions from internal stores within the cells endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin (PMID: 15189149). Its transient accumulation is due both to the enhanced metabolism via the Ca2+-calmodulin-sensitive Ins(1,4,5)P3 kinase, as well as a down-regulation of phosphatidylinositol 4,5-bisphosphate hydrolysis (PMID: 3041962). It is a major regulator of apoptotic signalling driving calcium (Ca2+) transients from the endoplasmic reticulum to mitochondria, thereby establishing a functional and physical link between these organelles. It also regulates autophagy through the interaction with Beclin 1 complex, and in particular, its inhibition/depletion strongly induces macroautophagy (PMID: 19325567). In addition, recent evidence suggests that the penetrating sperm delivers into mammalian eggs a novel isoform of phospholipase C (PLC), which promotes the formation of inositol 1,4,5-trisphosphate (PMID: 15362223). Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cells endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin. (PubChem)

   

(2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λ⁶-sulfanylium

(2,6-Dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-lambda-sulfanylium

C18H12O10S (420.0151)


(2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λ⁶-sulfanylium is classified as a member of the 3-hydroxyflavonoids. 3-hydroxyflavonoids are flavonoids that bear one hydroxyl group at the C-3 position of the flavonoid skeleton (2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λ⁶-sulfanylium is considered to be a practically insoluble (in water) and a moderately acidic compound (2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λ⁶-sulfanylium can be found in humans.

   

1H-Perfluorooctane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane

C8HF17 (419.9807)


   

Inositol 1,3,4-triphosphate

{[2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C6H15O15P3 (419.9624)


   

Atrinositol

{[2,3,4-trihydroxy-5,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C6H15O15P3 (419.9624)


   

[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl] phosphono hydrogen phosphate

{[hydroxy({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)phosphoryl]oxy}phosphonic acid

C6H15O15P3 (419.9624)


   

Vismodegib

2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide

C19H14Cl2N2O3S (420.0102)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XJ - Hedgehog pathway inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C188731 - Hedgehog Pathway Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor

   
   

(1R-cis)-4-Bromo-2-(1,2-dimethyl-3-methylenecyclopentyl)-3-iodo-5-methylphenol

(1R-cis)-4-Bromo-2-(1,2-dimethyl-3-methylenecyclopentyl)-3-iodo-5-methylphenol

C15H18BrIO (419.9586)


   

Iodoether A

[2S-(2alpha,5beta,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2-(iodomethyl)-5,8,10-trimethyl-2,5-methano-1-benzoxepin

C15H18BrIO (419.9586)


   
   

Fipronil sulfide

5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-4-(TRIFLUOROMETHYLTHIO)PYRAZOLE-3-CARBONITRILE

C12H4Cl2F6N4S (419.9438)


CONFIDENCE standard compound; INTERNAL_ID 2420 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8845

   
   
   

bromotopsentin

bromotopsentin

C20H13BrN4O2 (420.0222)


An aromatic ketone that is imidazole that is substituted at positions 2 and 5 by (6-hydroxy-1H-indol-3-yl)carbonyl and 6-bromo-1H-indol-3-yl groups respectively. Isolated from Mediterranean shallow-water sponges Topsentia genetrix, and from Caribbean deep-sea sponges of the Halichondriidae family, it has antitumour and antiviral properties. Toxic to fish.

   
   

3-Bromohomofascaplysin B

3-Bromohomofascaplysin B

C21H13BrN2O3 (420.0109)


   
   

Luzonensol acetate

Luzonensol acetate

C17H26Br2O2 (420.0299)


   

5-(3,5-Dibromo-4-(3-dimethylaminopropoxy)phenyl)-4,5-dihydrooxazole-2(3H)-one

5-(3,5-Dibromo-4-(3-dimethylaminopropoxy)phenyl)-4,5-dihydrooxazole-2(3H)-one

C14H18Br2N2O3 (419.9684)


   
   

4-Bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo dodeca-2,4,6-triene

4-Bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo dodeca-2,4,6-triene

C15H18BrIO (419.9586)


   

alpha-Trinositol

alpha-Trinositol

C6H15O15P3 (419.9624)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

   

myo-inositol 1,3,5-trisphosphate

myo-inositol 1,3,5-trisphosphate

C6H15O15P3 (419.9624)


   

Vismodegib

vismodegib(GDC-0449)

C19H14Cl2N2O3S (420.0102)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XJ - Hedgehog pathway inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C188731 - Hedgehog Pathway Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor

   

Fipronil-sulfide

5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-4-(TRIFLUOROMETHYLTHIO)PYRAZOLE-3-CARBONITRILE

C12H4Cl2F6N4S (419.9438)


A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfanyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2668

   

vismodegib(GDC-0449)

Vismodegib (GDC-0449)

C19H14Cl2N2O3S (420.0102)


   

D-myo-Inositol-2,4,5-triphosphate

D-myo-inositol-2,4,5-tris(hydrogen phosphate), trisodium salt

C6H15O15P3 (419.9624)


   

D-myo-Inositol-1,2,6-triphosphate

D-myo-inositol-1,2,6-tris(hydrogen phosphate), trisodium salt

C6H15O15P3 (419.9624)


   

D-myo-Inositol-1,3,5-triphosphate

D-myo-inositol-1,3,5-tris(hydrogen phosphate), trisodium salt

C6H15O15P3 (419.9624)


   

D-myo-Inositol-1,5,6-triphosphate

D-myo-inositol-1,5,6-tris(hydrogen phosphate), trisodium salt

C6H15O15P3 (419.9624)


   

D-myo-Inositol-2,3,5-triphosphate

D-myo-inositol-2,3,5-tris(dihydrogen phosphate), triammonium salt

C6H15O15P3 (419.9624)


   

D-myo-inositol-2,5,6-triphosphate

D-myo-inositol-2,5,6-tris(dihydrogen phosphate), trisodium salt

C6H15O15P3 (419.9624)


   

D-myo-Inositol-3,4,5-triphosphate

D-myo-inositol-3,4,5-tris(hydrogen phosphate), trisodium salt

C6H15O15P3 (419.9624)


   

L-myo-Inositol-1,4,5-triphosphate

3,5,6-tris(dihydrogen phosphate)D-myo-inositol

C6H15O15P3 (419.9624)


   

D-myo-Inositol-1,4,6-triphosphate

D-myo-Insitol-1,4,6-tris(dihydrogen phosphate), trisodium salt

C6H15O15P3 (419.9624)


   

D-myo-Inositol-1,3,4-triphosphate (sodium salt)

D-myo-inositol-1,3,4-tris(dihydrogen phosphate), trisodium salt

C6H15O15P3 (419.9624)


   

4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid

4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid

C18H13ClN2O6S (420.0183)


   

3,3-DIBROMO-1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-PYRROLO[2,3-B]PYRIDIN-2(3H)-ONE

3,3-DIBROMO-1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-PYRROLO[2,3-B]PYRIDIN-2(3H)-ONE

C13H18Br2N2O2Si (419.9504)


   

1H-Perfluorooctane

1H-Perfluorooctane

C8HF17 (419.9807)


   
   

myo-Inositol, 1,3,5-tris(dihydrogen phosphate)

myo-Inositol, 1,3,5-tris(dihydrogen phosphate)

C6H15O15P3 (419.9624)


   

1H-PERFLUORO-2,4,4-TRIMETHYLPENTANE 96

1H-PERFLUORO-2,4,4-TRIMETHYLPENTANE 96

C8HF17 (419.9807)


   
   

1,4-Bis(bromomethyl)-2-methoxy-5-(2-ethylhexyloxy)benzene

1,4-Bis(bromomethyl)-2-methoxy-5-(2-ethylhexyloxy)benzene

C17H26Br2O2 (420.0299)


   

7-Benzenesulfonyl-5-bromo-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

7-Benzenesulfonyl-5-bromo-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

C17H17BrN4O2S (420.0256)


   

3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl- pyrazole-4-carboxylic acid

3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl- pyrazole-4-carboxylic acid

C12H13ClN6O7S (420.0255)


   

1,4-bis(bromomethyl)-2-methoxy-5-octoxybenzene

1,4-bis(bromomethyl)-2-methoxy-5-octoxybenzene

C17H26Br2O2 (420.0299)


   
   

Bis(1-methyl-1H-indol-3-yl) perselenide

Bis(1-methyl-1H-indol-3-yl) perselenide

C18H16N2Se2 (419.9644)


   

4-chloro-6-(6-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1,3,5-triazin-2-amine

4-chloro-6-(6-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1,3,5-triazin-2-amine

C15H7ClF6N6 (420.0325)


   

Mordant Brown 49

Mordant Brown 49

C12H9N6NaO8S (420.01)


   

Pentamethylcyclopentadienylhafnium trichloride

Pentamethylcyclopentadienylhafnium trichloride

C10H15Cl3Hf (419.9705)


   

Dipotassium 2,2-biquinoline-4,4-dicarboxylate

Dipotassium 2,2-biquinoline-4,4-dicarboxylate

C20H10K2N2O4 (419.9915)


   

bis-(Mercaptocyclohexane)titanium tetrachloride

bis-(Mercaptocyclohexane)titanium tetrachloride

C12H24Cl4S2Ti (419.9553)


   

5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethylbenzo[b]thiophene-3(2H)-one

5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethylbenzo[b]thiophene-3(2H)-one

C20H14Cl2O2S2 (419.9812)


   

Inositol 2,4,5-trisphosphate

Inositol 2,4,5-trisphosphate

C6H15O15P3 (419.9624)


   

Atrinositol

Atrinositol

C6H15O15P3 (419.9624)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

   

1D-myo-inositol 3,4,6-trisphosphate

1D-myo-inositol 3,4,6-trisphosphate

C6H15O15P3 (419.9624)


   

myo-Inositol 1,2,3-trisphosphate

myo-Inositol 1,2,3-trisphosphate

C6H15O15P3 (419.9624)


   

[(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate

[(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate

C6H15O15P3 (419.9624)


   

[(1S,2R,4S,5S)-2,3,4-Trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate

[(1S,2R,4S,5S)-2,3,4-Trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate

C6H15O15P3 (419.9624)


   

Astatine

Astatine

At2 (420)


   

NIP-O-succinimide

NIP-O-succinimide

C12H9IN2O7 (419.9455)


   

4-bromo-N-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)benzamide

4-bromo-N-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)benzamide

C21H13BrN2O3 (420.0109)


   

1D-Myo-inositol 1,4,5-trisphosphate

1D-Myo-inositol 1,4,5-trisphosphate

C6H15O15P3 (419.9624)


   

Inositol 1,3,4-trisphosphate

1D-Myo-inositol 1,3,4-trisphosphate

C6H15O15P3 (419.9624)


   

(2,6-Dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-lambda-sulfanylium

(2,6-Dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-lambda-sulfanylium

C18H12O10S (420.0151)


   

1D-myo-Inositol 1,2,6-trisphosphate

1D-myo-Inositol 1,2,6-trisphosphate

C6H15O15P3 (419.9624)


   

[(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid

[(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid

C6H15O15P3 (419.9624)


   

4-bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-triene

4-bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-triene

C15H18BrIO (419.9586)


   

4-bromo-6-[(1s,2r,5r)-1,2-dimethylbicyclo[3.1.0]hexan-2-yl]-2-iodo-3-methylphenol

4-bromo-6-[(1s,2r,5r)-1,2-dimethylbicyclo[3.1.0]hexan-2-yl]-2-iodo-3-methylphenol

C15H18BrIO (419.9586)


   

4-bromo-6-{1,2-dimethylbicyclo[3.1.0]hexan-2-yl}-2-iodo-3-methylphenol

4-bromo-6-{1,2-dimethylbicyclo[3.1.0]hexan-2-yl}-2-iodo-3-methylphenol

C15H18BrIO (419.9586)


   

n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)ethanimidic acid

n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)ethanimidic acid

C15H22Br2N2O2 (420.0048)


   

3-[4-(6-bromo-1h-indol-3-yl)-1h-imidazole-2-carbonyl]-1h-indol-6-ol

3-[4-(6-bromo-1h-indol-3-yl)-1h-imidazole-2-carbonyl]-1h-indol-6-ol

C20H13BrN4O2 (420.0222)


   

(3z)-1-bromo-5-[(1r,3s)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-3-en-2-yl acetate

(3z)-1-bromo-5-[(1r,3s)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-3-en-2-yl acetate

C17H26Br2O2 (420.0299)


   

(1s,9r,12s)-4-bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-triene

(1s,9r,12s)-4-bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-triene

C15H18BrIO (419.9586)


   

4-bromo-2-(1,2-dimethyl-3-methylidenecyclopentyl)-3-iodo-5-methylphenol

4-bromo-2-(1,2-dimethyl-3-methylidenecyclopentyl)-3-iodo-5-methylphenol

C15H18BrIO (419.9586)


   

4-bromo-2-[(1r,2s)-1,2-dimethyl-3-methylidenecyclopentyl]-3-iodo-5-methylphenol

4-bromo-2-[(1r,2s)-1,2-dimethyl-3-methylidenecyclopentyl]-3-iodo-5-methylphenol

C15H18BrIO (419.9586)


   

[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid

[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid

C6H15O15P3 (419.9624)


   

(2s,3z)-1-bromo-5-[(1r,3s)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-3-en-2-yl acetate

(2s,3z)-1-bromo-5-[(1r,3s)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-3-en-2-yl acetate

C17H26Br2O2 (420.0299)


   

(3z,6s)-3-(3,3-dichloro-2-methylprop-2-en-1-ylidene)-1,4-dimethyl-6-[(2s)-3,3,3-trichloro-2-methylpropyl]piperazine-2,5-dione

(3z,6s)-3-(3,3-dichloro-2-methylprop-2-en-1-ylidene)-1,4-dimethyl-6-[(2s)-3,3,3-trichloro-2-methylpropyl]piperazine-2,5-dione

C14H17Cl5N2O2 (419.9733)


   

[(1r,2s,3r,4r,5s,6r)-2,4,5-trihydroxy-3,6-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid

[(1r,2s,3r,4r,5s,6r)-2,4,5-trihydroxy-3,6-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid

C6H15O15P3 (419.9624)