I3S

(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL


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Chemical Component Summary

Name(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL
Identifiers[(1S,2S,3S,4R,5R,6S)-2,4,5-trihydroxy-3,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
FormulaC6 H15 O15 P3
Molecular Weight420.096
TypeNON-POLYMER
Isomeric 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)O
InChIInChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1
InChIKeyMMWCIQZXVOZEGG-MLQGYMEPSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count6
Bond Count39
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB01729 
Name1D-myo-inositol 1,3,4-trisphosphate
Groups experimental
Synonyms
  • 1D-myo-inositol 1,3,4-trisphosphate
  • (1S,3S,4S)-1,3,4-triphospho-myo-inositol
  • Inositol 1,3,4-trisphosphate
  • D-myo-Inositol 1,3,4-trisphosphate
Categories
  • Alcohols
  • Carbohydrates
  • Sugar Alcohols
  • Sugar Phosphates

Related Resource References

Resource NameReference
PubChem 439455
ChEMBL CHEMBL329137
ChEBI CHEBI:18228