Inosine Triphosphate
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular Identity
Inosine Triphosphate
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
PubChem CID: 135398643
ITP is the inosine phosphate that has a triphosphate group at the 5'-position. It is an intermediate in the metabolism of purine. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is an inosine phosphate and a purine ribonucleoside 5'-triphosphate. It is a conjugate acid of an ITP(3-) and an ITP(4-).
2D Structure
Properties
C10H15N4O14P3
Molecular Formula
508.17
Molecular Weight
g/mol
507.9798
Exact Mass
Da
-5.1
XLogP
Drug-like (Lipinski: < 5)
269
TPSA
May have limited oral absorption
7
H-Bond Donors
16
H-Bond Acceptors
880
Complexity
SMILES
Canonical SMILES
SMILES: C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OIsomeric SMILES
SMILES: C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OSynonyms(20)
inosine triphosphate132-06-9Inosine 5'-(tetrahydrogen triphosphate)212A76R77XDTXSID8074499[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate(((((((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-1H-purin-9-yl)oxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate({[({[(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 acidTriphosphate, InosineRefChem:389064DTXCID4034071205-046-7Inosine 5'-triphosphateITP
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Inosine Triphosphate
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