CHEBI:62985 - 5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate
ChEBI ID CHEBI:62985
ChEBI ASCII Name 5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate
Definition A myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 1, 2, 3, 4 and 6 as well as a triphospho group at position 5.
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)4(32-40(16,17)18)6(5(33-41(19,20)21)3(1)31-39(13,14)15)34-43(25,26)36-44(27,28)35-42(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 AVVJNZFEIAPLHF-KXXVROSKSA-N
SMILES OP(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)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
ChEBI Ontology
Outgoing 5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate (CHEBI:62985) has functional parent myo-inositol (CHEBI:17268)
5-triphospho-1D-myo-inositol 1,2,3,4,6-pentakisphosphate (CHEBI:62985) is a myo-inositol pentakisphosphate (CHEBI:25447)
IUPAC Name
(1r,2R,3S,4ss,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl tetrahydrogen triphosphate
Synonym Source
5-PPP-IP5 SUBMITTER
Last Modified
12 July 2016