Exact Mass: 419.97391380000005
Exact Mass Matches: 419.97391380000005
Found 78 metabolites which its exact mass value is equals to given mass value 419.97391380000005,
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
C6H15O15P3 (419.96238300000005)
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
C6H15O15P3 (419.96238300000005)
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[7.3.1.0⁵,¹³]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.
Inositol 1,3,4-triphosphate
C6H15O15P3 (419.96238300000005)
Atrinositol
C6H15O15P3 (419.96238300000005)
[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl] phosphono hydrogen phosphate
C6H15O15P3 (419.96238300000005)
Vismodegib
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
C15H18BrIO (419.95857079999996)
Iodoether A
C15H18BrIO (419.95857079999996)
Fipronil sulfide
C12H4Cl2F6N4S (419.94379160000005)
CONFIDENCE standard compound; INTERNAL_ID 2420 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8845
bromotopsentin
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.
5-(3,5-Dibromo-4-(3-dimethylaminopropoxy)phenyl)-4,5-dihydrooxazole-2(3H)-one
4-Bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo dodeca-2,4,6-triene
C15H18BrIO (419.95857079999996)
9-(4-bromo-benzenesulfonyloxy)-furo[3,2-g]chromen-7-one
C17H9BrO6S (419.93031940000003)
alpha-Trinositol
C6H15O15P3 (419.96238300000005)
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
Vismodegib
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
C12H4Cl2F6N4S (419.94379160000005)
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
D-myo-Inositol-2,4,5-triphosphate
C6H15O15P3 (419.96238300000005)
D-myo-Inositol-1,2,6-triphosphate
C6H15O15P3 (419.96238300000005)
D-myo-Inositol-1,3,5-triphosphate
C6H15O15P3 (419.96238300000005)
D-myo-Inositol-1,5,6-triphosphate
C6H15O15P3 (419.96238300000005)
D-myo-Inositol-2,3,5-triphosphate
C6H15O15P3 (419.96238300000005)
D-myo-inositol-2,5,6-triphosphate
C6H15O15P3 (419.96238300000005)
D-myo-Inositol-3,4,5-triphosphate
C6H15O15P3 (419.96238300000005)
L-myo-Inositol-1,4,5-triphosphate
C6H15O15P3 (419.96238300000005)
D-myo-Inositol-1,4,6-triphosphate
C6H15O15P3 (419.96238300000005)
D-myo-Inositol-1,3,4-triphosphate (sodium salt)
C6H15O15P3 (419.96238300000005)
4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid
C18H13ClN2O6S (420.01828280000007)
3,3-DIBROMO-1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-PYRROLO[2,3-B]PYRIDIN-2(3H)-ONE
C13H18Br2N2O2Si (419.95042079999996)
myo-Inositol, 1,3,5-tris(dihydrogen phosphate)
C6H15O15P3 (419.96238300000005)
Pentamethylcyclopentadienylhafnium trichloride
C10H15Cl3Hf (419.97048900000004)
Dipotassium 2,2-biquinoline-4,4-dicarboxylate
C20H10K2N2O4 (419.99147000000005)
5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethylbenzo[b]thiophene-3(2H)-one
Atrinositol
C6H15O15P3 (419.96238300000005)
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
C6H15O15P3 (419.96238300000005)
[(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
C6H15O15P3 (419.96238300000005)
[(1S,2R,4S,5S)-2,3,4-Trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
C6H15O15P3 (419.96238300000005)
4-bromo-N-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)benzamide
C21H13BrN2O3 (420.01094880000005)
1D-Myo-inositol 1,4,5-trisphosphate
C6H15O15P3 (419.96238300000005)
(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
1D-myo-Inositol 1,2,6-trisphosphate
C6H15O15P3 (419.96238300000005)
[(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid
C6H15O15P3 (419.96238300000005)
4-bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-triene
C15H18BrIO (419.95857079999996)
4-bromo-6-[(1s,2r,5r)-1,2-dimethylbicyclo[3.1.0]hexan-2-yl]-2-iodo-3-methylphenol
C15H18BrIO (419.95857079999996)
4-bromo-6-{1,2-dimethylbicyclo[3.1.0]hexan-2-yl}-2-iodo-3-methylphenol
C15H18BrIO (419.95857079999996)
n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)ethanimidic acid
C15H22Br2N2O2 (420.00479119999994)
3-[4-(6-bromo-1h-indol-3-yl)-1h-imidazole-2-carbonyl]-1h-indol-6-ol
(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 (419.95857079999996)
4-bromo-2-(1,2-dimethyl-3-methylidenecyclopentyl)-3-iodo-5-methylphenol
C15H18BrIO (419.95857079999996)
4-bromo-2-[(1r,2s)-1,2-dimethyl-3-methylidenecyclopentyl]-3-iodo-5-methylphenol
C15H18BrIO (419.95857079999996)
[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid
C6H15O15P3 (419.96238300000005)
(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 (419.97326119999997)
[(1r,2s,3r,4r,5s,6r)-2,4,5-trihydroxy-3,6-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid
C6H15O15P3 (419.96238300000005)