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CHEBI:53066 - 4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate

ChEBI IDCHEBI:53066
ChEBI Name4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate
Stars
ASCII Name4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate
DefinitionA 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 4 and 5.
Last Modified21 January 2016
Submitterkieran
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)O)[C@H](OP(=O)(O)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(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/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+/m0/s1
InChIKeyGXPFHIDIIMSLOF-UZAAGFTCSA-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)
4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate (CHEBI:53066) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate (CHEBI:53066) is a 1D-myo-inositol bis(diphosphate) tetrakisphosphate (CHEBI:14178)
IUPAC Name 
1,2,3,6-tetrakis-O-phosphono-1D-myo-inositol 4,5-bis[trihydrogen (diphosphate)]