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CHEBI:62922 - 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate

ChEBI IDCHEBI:62922
ChEBI Name3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
Stars
ASCII Name3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
DefinitionA myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 1, 2, 4, 5 and 6 as well as a diphospho group at position 3.
Last Modified18 October 2011
Submittermwilliams
DownloadsMolfile
FormulaC6H19O27P7
Net Charge0
Average Mass740.009
Monoisotopic Mass739.82770
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)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
InChIInChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(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-/m0/s1
InChIKeyUPHPWXPNZIOZJL-PTQMNWPWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:62922) has functional parent myo-inositol (CHEBI:17268)
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:62922) is a myo-inositol pentakisphosphate (CHEBI:25447)
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:62922) is conjugate acid of 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13−) (CHEBI:140374)
Incoming Relation(s)
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13−) (CHEBI:140374) is conjugate base of 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:62922)
IUPAC Name 
1,2,4,5,6-pentakis-O-phosphono-1D-myo-inositol 3-(trihydrogen diphosphate)
Synonyms  Source
3-PP-IP5SUBMITTER
(1S,2S,3R,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphateIUPAC