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CHEBI:140374 - 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13−)

ChEBI IDCHEBI:140374
ChEBI Name3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13−)
Stars
ASCII Name3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13-)
DefinitionAn inositol phosphate oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate. It is the major microspecies at pH 7.3.
Last Modified9 April 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H6O27P7
Net Charge-13
Average Mass726.905
Monoisotopic Mass726.73311
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)/p-13/t1-,2-,3+,4-,5-,6-/m0/s1
InChIKeyUPHPWXPNZIOZJL-PTQMNWPWSA-A
ChEBI Ontology
Outgoing Relation(s)
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13−) (CHEBI:140374) is a inositol phosphate oxoanion (CHEBI:76301)
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13−) (CHEBI:140374) is conjugate base of 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:62922)
Incoming Relation(s)
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:62922) is conjugate acid of 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13−) (CHEBI:140374)
UniProt Name  Source
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphateUniProt
Manual XrefsDatabases
CPD-11937MetaCyc
Citations