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CHEBI:53064 - 4-diphospho-1D-myo-inositol pentakisphosphate

ChEBI IDCHEBI:53064
ChEBI Name4-diphospho-1D-myo-inositol pentakisphosphate
Stars
ASCII Name4-diphospho-1D-myo-inositol pentakisphosphate
DefinitionA 1D-myo-inositol pentakisphosphate compound with a diphosphate groups attached at the 4-position.
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-/m0/s1
InChIKeyUPHPWXPNZIOZJL-CNWJWELYSA-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)
4-diphospho-1D-myo-inositol pentakisphosphate (CHEBI:53064) has functional parent myo-inositol (CHEBI:17268)
4-diphospho-1D-myo-inositol pentakisphosphate (CHEBI:53064) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4-diphospho-1D-myo-inositol pentakisphosphate (CHEBI:53064) is a myo-inositol pentakisphosphate (CHEBI:25447)
IUPAC Name 
1,2,3,5,6-pentakis-O-phosphono-1D-myo-inositol 4-(trihydrogen diphosphate)