CHEBI:62925 - 1,3-bis(diphospho)-myo-inositol 2,4,5,6-tetrakisphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,3-bis(diphospho)-myo-inositol 2,4,5,6-tetrakisphosphate
ChEBI ID CHEBI:62925
ChEBI ASCII Name 1,3-bis(diphospho)-myo-inositol 2,4,5,6-tetrakisphosphate
Definition A 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located 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 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)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)/t1-,2-,3+,4+,5+,6-
InChIKey HHQOOERQSFJGEP-FICORBCRSA-N
SMILES OP(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
ChEBI Ontology
Outgoing 1,3-bis(diphospho)-myo-inositol 2,4,5,6-tetrakisphosphate (CHEBI:62925) has functional parent myo-inositol (CHEBI:17268)
1,3-bis(diphospho)-myo-inositol 2,4,5,6-tetrakisphosphate (CHEBI:62925) is a 1D-myo-inositol bis(diphosphate) tetrakisphosphate (CHEBI:14178)
IUPAC Name
2,4,5,6-tetrakis-O-phosphono-myo-inositol 1,3-bis[trihydrogen (diphosphate)]
Synonyms Sources
(1R,3S,4R,5r,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] ChEBI
1,3-(PP)2-IP4 SUBMITTER
Last Modified
18 October 2011