Inositol 1,3,4,5-tetrakisphosphate
[(1R,2S,4S,5S)-2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
Molecular Identity
Inositol 1,3,4,5-tetrakisphosphate
[(1R,2S,4S,5S)-2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
PubChem CID: 107758
1D-myo-inositol 1,3,4,5-tetrakisphosphate is a myo-inositol tetrakisphosphate having the four phosphates placed in the 1-, 3-, 4- and 5-positions. It has a role as a mouse metabolite. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 1,3,4,5-tetrakisphosphate(8-).
2D Structure
Properties
C6H16O18P4
Molecular Formula
500.08
Molecular Weight
g/mol
499.9287
Exact Mass
Da
-8.1
XLogP
Drug-like (Lipinski: < 5)
308
TPSA
May have limited oral absorption
10
H-Bond Donors
18
H-Bond Acceptors
688
Complexity
SMILES
Canonical SMILES
SMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OIsomeric SMILES
SMILES: [C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OSynonyms(20)
inositol 1,3,4,5-tetrakisphosphateInositol 1,3,4,5-tetraphosphate102850-29-31D-myo-inositol 1,3,4,5-tetrakisphosphateinositol-(1,3,4,5)-tetrakisphosphateInositol-1,3,4,5-tetraphosphateIns-1,3,4,5-P4Inositol-1,3,4,5-tetrakisphosphatemyo-Inositol, 1,3,4,5-tetrakis(dihydrogen phosphate)CHEMBL23552D-myo-inositol 1,3,4,5-tetrakisphosphatemyo-Inositol-1,3,4,5-tetrakisphosphate[(1S,2S,4S,5R)-2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl] dihydrogen phosphatemyo-Inositol 1,3,4,5-tetraphosphate1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosphate)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Inositol 1,3,4,5-tetrakisphosphate
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