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Substance Name: Inositol 1,4-bisphosphate 5-phosphorothioate
RN: 116778-73-5
InChIKey: UKCNLOBKKFKWLA-HOZKJCLWSA-N

Molecular Formula

  • C6-H15-O14-P3-S

Molecular Weight

  • 436.1585
 
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Names and Synonyms

Name of Substance

  • Inositol 1,4-bisphosphate 5-phosphorothioate

Synonym

  • Insp3S

Systematic Name

  • DL-myo-Inositol, 1,4-bis(dihydrogen phosphate) 5-(dihydrogen phosphorothioate)

Registry Numbers

CAS Registry Number

  • 116778-73-5

System Generated Number

  • 0116778735

Structure Descriptors

InChI

1S/C6H15O14P3S/c7-1-2(8)5(19-22(13,14)15)6(20-23(16,17)24)3(9)4(1)18-21(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,24)/t1-,2+,3+,4-,5-,6-/m0/s1

InChIKey

UKCNLOBKKFKWLA-HOZKJCLWSA-N

Smiles

[C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)O)OP(=S)(O)O)OP(=O)(O)O)O)O