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CHEBI:53065 - 6-diphospho-1D-myo-inositol pentakisphosphate

ChEBI IDCHEBI:53065
ChEBI Name6-diphospho-1D-myo-inositol pentakisphosphate
Stars
ASCII Name6-diphospho-1D-myo-inositol pentakisphosphate
DefinitionA myo-inositol pentakisphosphate that consists of 1D-myo-inositol having the five phospho groups located at positions 1, 2, 3, 4 and 5 as well as a diphospho group at position 6.
Last Modified21 January 2016
Submitterkieran
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-/m1/s1
InChIKeyUPHPWXPNZIOZJL-XCMZKKERSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
6-diphospho-1D-myo-inositol pentakisphosphate (CHEBI:53065) has functional parent myo-inositol (CHEBI:17268)
6-diphospho-1D-myo-inositol pentakisphosphate (CHEBI:53065) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
6-diphospho-1D-myo-inositol pentakisphosphate (CHEBI:53065) is a myo-inositol pentakisphosphate (CHEBI:25447)
6-diphospho-1D-myo-inositol pentakisphosphate (CHEBI:53065) is conjugate acid of 6-diphospho-1D-myo-inositol pentakisphosphate(13−) (CHEBI:230534)
Incoming Relation(s)
6-diphospho-1D-myo-inositol pentakisphosphate(13−) (CHEBI:230534) is conjugate base of 6-diphospho-1D-myo-inositol pentakisphosphate (CHEBI:53065)
IUPAC Name 
1,2,3,4,5-pentakis-O-phosphono-1D-myo-inositol 6-(trihydrogen diphosphate)