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CHEBI:62985 - 5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate

ChEBI IDCHEBI:62985
ChEBI Name5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate
Stars
ASCII Name5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate
DefinitionA myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 1, 2, 3, 4 and 6 as well as a triphospho group at position 5.
Last Modified12 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC6H20O30P8
Net Charge0
Average Mass819.988
Monoisotopic Mass819.79403
SMILESO=P(O)(O)O[C@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
InChIInChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(5(33-41(19,20)21)3(1)31-39(13,14)15)34-43(25,26)36-44(27,28)35-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+
InChIKeyAVVJNZFEIAPLHF-KXXVROSKSA-N
ChEBI Ontology
Outgoing Relation(s)
5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate (CHEBI:62985) has functional parent myo-inositol (CHEBI:17268)
5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate (CHEBI:62985) is a myo-inositol pentakisphosphate (CHEBI:25447)
IUPAC Name 
(1r,2R,3S,4ss,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl tetrahydrogen triphosphate
Synonym  Source
5-PPP-IP5SUBMITTER