Inositol 1,3,4-trisphosphate
Basic information
- CAS
93133-76-7- Standard SMILES
O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O- InChIKey
MMWCIQZXVOZEGG-MLQGYMEPSA-N- Molecular formula
- C6H15O15P3
- Average molar mass
- 420.1 g/mol
- Monoisotopic mass
- 419.96238076
Overview
1D-myo-inositol 1,3,4-trisphosphate is a myo-inositol trisphosphate. 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-trisphosphate(6-).
Names & identifiers
- Preferred name
- Inositol 1,3,4-trisphosphate
- IUPAC
- [(1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
- English name
- D-Myo-inositol 1,3,4-tris-phosphate ammonium salt
- Molecular formula
- C6H15O15P3
- Molecular weight
- 420.1
Names & synonyms
inositol 1,3,4-trisphosphate(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOLD-myo-Inositol 1,3,4-trisphosphate1D-myo-Inositol 1,3,4-trisphosphate1,3,4-Itpmyo-inositol 1,3,4-trisphosphateInositol 1,3,4-triphosphateCHEBI:18228DTXSID10243446{[(1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid(((1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl)oxy)phosphonic acidRefChem:148377
Show more names
D-myo-inositol 1,3,4-tris-*phosphate ammoniumD-myo-Inositol, 1,3,4-tris(dihydrogen phosphate)D-Myo-inositol 1,3,4-tris-phosphate ammonium salt[(1S,2S,3S,4R,5R,6S)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl] hydrogen phosphate
DTXCID1016593798102-63-7I3SD-myo-Inositol-1,3,4-triphosphate93133-76-7CHEMBL329137orb2941289SCHEMBL9382320
Properties
Computed structural properties
- XLogP
- -7
- Topological polar surface area
- 261 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 877.6 · 877.6±75.0 °C(Predicted)
- Density
- 2.25 · 2.25±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 1.91 · 1.91±0.10(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysInositol phosphate metabolism
Applications
UsesGlycerophospholipids act as regulators of various enzyme activities, and can be used as biological markers to indicate pathological states.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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