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CHEBI:62929 - 1,3-bis(diphospho)-myo-inositol 4,5,6-trisphosphate

ChEBI IDCHEBI:62929
ChEBI Name1,3-bis(diphospho)-myo-inositol 4,5,6-trisphosphate
Stars
ASCII Name1,3-bis(diphospho)-myo-inositol 4,5,6-trisphosphate
DefinitionA myo-inositol bis(diphosphate) trisphosphate having the three phospho groups located at positions 4, 5 and 6 and the two diphospho groups at positions 1 and 3.
Last Modified18 October 2011
Submittermwilliams
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)OP(=O)(O)O)[C@H](O)[C@H](OP(=O)(O)OP(=O)(O)O)[C@H]1OP(=O)(O)O
InChIInChI=1S/C6H19O27P7/c7-1-2(30-39(23,24)32-37(17,18)19)4(27-34(8,9)10)6(29-36(14,15)16)5(28-35(11,12)13)3(1)31-40(25,26)33-38(20,21)22/h1-7H,(H,23,24)(H,25,26)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+
InChIKeyPHUBBCORXCAAHP-KXXVROSKSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-bis(diphospho)-myo-inositol 4,5,6-trisphosphate (CHEBI:62929) has functional parent myo-inositol (CHEBI:17268)
1,3-bis(diphospho)-myo-inositol 4,5,6-trisphosphate (CHEBI:62929) is a 1D-myo-inositol bis(diphosphate) trisphosphate (CHEBI:62957)
IUPAC Name 
4,5,6-tris-O-phosphono-myo-inositol 1,3-bis[trihydrogen (diphosphate)]
Synonym  Source
1,3-(PP)2-IP3SUBMITTER