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CHEBI:140372 - 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13−)

Default Structure
ChEBI IDCHEBI:140372
ChEBI Name3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13−)
Stars
ASCII Name3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-)
DefinitionAn inositol phosphate oxoanion obtained by deprotonation of all but one of the phosphate and diphosphate OH groups of 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified9 April 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H7O30P8
Net Charge-13
Average Mass806.884
Monoisotopic Mass806.69944
SMILESO=P([O-])([O-])O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H](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)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/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)/p-13/t1-,2-,3-,4-,5+,6-/m0/s1
InChIKeyHHQOOERQSFJGEP-ZSIQDKGESA-A
ChEBI Ontology
Outgoing Relation(s)
3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13−) (CHEBI:140372) is a inositol phosphate oxoanion (CHEBI:76301)
3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13−) (CHEBI:140372) is conjugate base of 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate (CHEBI:62924)
Incoming Relation(s)
3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate (CHEBI:62924) is conjugate acid of 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13−) (CHEBI:140372)
UniProt Name  Source
3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphateUniProt
Manual XrefsDatabases
CPD-11939MetaCyc
Citations