Exact Mass: 420.0109
Exact Mass Matches: 420.0109
Found 96 metabolites which its exact mass value is equals to given mass value 420.0109,
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
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
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.
[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl] phosphono hydrogen phosphate
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
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-1,3,4-triphosphate (sodium salt)
2-(4-(8-BROMO-3-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)PHENYL)-2-METHYLPROPANENITRILE
4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid
Benzeneacetic acid, a-(2,4-dinitrophenyl)-2,4-dinitro-,ethyl ester
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
5-(4-TERT-BUTYLBENZYLTHIO)-2-(3-CHLOROBENZYLTHIO)-1,3,4-THIADIAZOLE
CHLORO(CYCLOPENTADIENYL)(TRIPHENYLPHOSPHINE)NICKEL(II)
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
5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethylbenzo[b]thiophene-3(2H)-one
Atrinositol
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
[(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
[(1S,2R,4S,5S)-2,3,4-Trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
5-(4-morpholinylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]-2-furancarboxamide
(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
(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
[(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
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
(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.
