Ins(1,4,5)P3
[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Molecular Identity
Ins(1,4,5)P3
[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
PubChem CID: 439456
1D-myo-inositol 1,4,5-trisphosphate is a myo-inositol trisphosphate. It has a role as a mouse metabolite. It is a conjugate acid of a 1D-myo-inositol 1,4,5-trisphosphate(6-).
2D Structure
Properties
C6H15O15P3
Molecular Formula
420.10
Molecular Weight
g/mol
419.9624
Exact Mass
Da
-7
XLogP
Drug-like (Lipinski: < 5)
261
TPSA
May have limited oral absorption
9
H-Bond Donors
15
H-Bond Acceptors
574
Complexity
SMILES
Canonical SMILES
SMILES: C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)OIsomeric SMILES
SMILES: [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)OSynonyms(20)
inositol 1,4,5-trisphosphate85166-31-01,4,5-Insp3Ins(1,4,5)P3InsP31D-myo-Inositol 1,4,5-trisphosphateD-myo-Inositol 1,4,5-trisphosphateTriphosphoinositolD-myo-Inositol, 1,4,5-tris(dihydrogen phosphate)myo-Inositol 1,4,5-trisphosphateDTXSID80893598MU34XVK5NR1,4,5-IP3CHEBI:16595[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ins(1,4,5)P3
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