Inosine Triphosphate

Details

• Internal ID: 9b5d3305-0f8c-4483-a47f-cc7f62927486
• Taxonomy: Nucleosides, nucleotides, and analogues > Purine nucleotides > Purine ribonucleotides > Purine ribonucleoside triphosphates
• IUPAC Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• InChI: InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
• InChI Key: HAEJPQIATWHALX-KQYNXXCUSA-N
• Popularity: 493 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₅N₄O₁₄P₃
• Molecular Weight: 508.17 g/mol
• Exact Mass: 507.97976216 g/mol
• Topological Polar Surface Area (TPSA): 269.00 Ų
• XlogP: -5.10

Synonyms

• Inosine 5'-triphosphate
• 132-06-9
• Inosine 5'-(tetrahydrogen triphosphate)
• ITP
• Inosine 5-triphopshate
• Inosine-5'-Triphosphate
• 5-ITP
• 2'-inosine-5'-triphosphate
• 5'-ITP
• CHEBI:16039
• Inosine 5(tetrahydrogen triphosphate)
• 212A76R77X
• [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
• [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• ITT
• EINECS 205-046-7
• Inosine 5
• CZU
• starbld0016629
• bmse000255
• SCHEMBL163281
• GTPL1743
• CHEMBL1233686
• DTXSID8074499
• UNII-212A76R77X
• O(5')-(tetrahydroxytriphosphoryl)inosine
• inosine 5/'-(tetrahydrogen triphosphate)
• Ethyl(R)-(+)-4-Bromo-3-hydroxybutanoate
• C00081
• Inosine 5'-(tetrahydrogen triphosphate) (8CI,9CI)
• Q3151473
• ({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
• [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
• [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-ol

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	98.28%	80.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.79%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	95.37%	95.93%
CHEMBL2850	P49840	Glycogen synthase kinase-3 alpha	92.52%	88.84%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.09%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.01%	94.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	87.54%	95.64%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.51%	89.00%
CHEMBL5957	P21589	5'-nucleotidase	86.17%	97.78%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.58%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	85.25%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.51%	95.56%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	84.05%	93.03%
CHEMBL3137261	O14744	PRMT5/MEP50 complex	80.59%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 135398643
• LOTUS: LTS0228277
• wikiData: Q3151473