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

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ChEBI Name 4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate
ChEBI ID CHEBI:53066
ChEBI ASCII Name 4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate
Definition A 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 4 and 5.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kieran
Supplier Information
Download Molfile XML SDF
Formula C6H20O30P8
Net Charge 0
Average Mass 819.99510
Monoisotopic Mass 819.79404
InChI InChI=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
InChIKey GXPFHIDIIMSLOF-UZAAGFTCSA-N
SMILES OP(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
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
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ChEBI Ontology
Outgoing 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)]
Last Modified
21 January 2016