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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,3-bis(diphospho)-myo-inositol 4,5,6-trisphosphate
ChEBI ID CHEBI:62929
ChEBI ASCII Name 1,3-bis(diphospho)-myo-inositol 4,5,6-trisphosphate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C6H19O27P7
Net Charge 0
Average Mass 740.01520
Monoisotopic Mass 739.82770
InChI InChI=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+
InChIKey PHUBBCORXCAAHP-KXXVROSKSA-N
SMILES O[C@@H]1[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(=O)OP(O)(O)=O
ChEBI Ontology
Outgoing 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-IP3 SUBMITTER
Last Modified
18 October 2011