4IM

scyllo-inositol 1,2,3,5-tetrakisphosphate

Created: 2023-07-12
Last modified:  2024-02-28

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count4
Bond Count44
Aromatic Bond Count0
2D diagram of 4IM
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Chemical Component Summary

Namescyllo-inositol 1,2,3,5-tetrakisphosphate
Synonyms[(1R,2S,4R,5S)-2,4-bis(oxidanyl)-3,5,6-triphosphonooxy-cyclohexyl] dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)[(1~{R},2~{S},4~{R},5~{S})-2,4-bis(oxidanyl)-3,5,6-triphosphonooxy-cyclohexyl] dihydrogen phosphate
FormulaC6 H16 O18 P4
Molecular Weight500.075
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.7C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
Canonical SMILESCACTVS3.385 O[C@H]1[C@H](O[P](O)(O)=O)[C@@H](O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 [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)O
InChIInChI1.06 InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6-
InChIKeyInChI1.06 CIPFCGZLFXVXBG-FAEUDGQSSA-N