Exact Mass: 420.0100274
Exact Mass Matches: 420.0100274
Found 85 metabolites which its exact mass value is equals to given mass value 420.0100274
,
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
4-methylthiobutyl glucosinolate
4-methylthiobutyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methylthiobutyl glucosinolate can be found in a number of food items such as arrowroot, ohelo berry, winged bean, and buffalo currant, which makes 4-methylthiobutyl glucosinolate a potential biomarker for the consumption of these food products.
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
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
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)
2-(4-(8-BROMO-3-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)PHENYL)-2-METHYLPROPANENITRILE
3-[2-(Perfluorohexyl)ethoxy]-1,2-epoxypropane
C11H9F13O2 (420.03949299999994)
4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid
C18H13ClN2O6S (420.01828280000007)
Benzeneacetic acid, a-(2,4-dinitrophenyl)-2,4-dinitro-,ethyl ester
C16H12N4O10 (420.05534120000004)
myo-Inositol, 1,3,5-tris(dihydrogen phosphate)
C6H15O15P3 (419.96238300000005)
1,4-Bis(bromomethyl)-2-methoxy-5-(2-ethylhexyloxy)benzene
7-Benzenesulfonyl-5-bromo-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
Tiflamizole
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl- pyrazole-4-carboxylic acid
C12H13ClN6O7S (420.02549380000005)
5-(4-TERT-BUTYLBENZYLTHIO)-2-(3-CHLOROBENZYLTHIO)-1,3,4-THIADIAZOLE
C20H21ClN2S3 (420.05553360000005)
CHLORO(CYCLOPENTADIENYL)(TRIPHENYLPHOSPHINE)NICKEL(II)
C23H20ClNiP (420.03445500000004)
3,3-Methylenebis(1-tert-butyl-3-imidazolium Bromide)
4-chloro-6-(6-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1,3,5-triazin-2-amine
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)
(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C12H20O14S (420.05737400000004)
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C12H20O14S (420.05737400000004)
[(Z)-[5-methylsulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]amino] sulfate
4-bromo-N-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)benzamide
C21H13BrN2O3 (420.01094880000005)
4-(4-morpholinylsulfonyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
2,5-anhydro-3-O-(2-O-sulfo-alpha-L-idopyranuronosyl)-D-glucitol
C12H20O14S (420.05737400000004)
beta-D-GlcpA3S-(1->3)-2,5-anhydro-D-Glc-OH
C12H20O14S (420.05737400000004)
alpha-L-IdopA-(1->3)-2,5-anhydro-D-Glc-OH4S
C12H20O14S (420.05737400000004)
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
Glucoerucin(1-)
A thia-alkylglucosinolate that has a 4-(methylsulfanyl)butyl side chain attached to the sulfonated oxime group.
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)