CHEBI:62922 - 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
ChEBI ID CHEBI:62922
ChEBI ASCII Name 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
Definition A myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 1, 2, 4, 5 and 6 as well as a diphospho group at position 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/c7-34(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)/t1-,2-,3+,4-,5-,6-/m0/s1
InChIKey UPHPWXPNZIOZJL-PTQMNWPWSA-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)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
ChEBI Ontology
Outgoing 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:62922) has functional parent myo-inositol (CHEBI:17268)
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:62922) is a myo-inositol pentakisphosphate (CHEBI:25447)
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)
Incoming 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)
IUPAC Name
1,2,4,5,6-pentakis-O-phosphono-1D-myo-inositol 3-(trihydrogen diphosphate)
Synonyms Sources
(1S,2S,3R,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate IUPAC
3-PP-IP5 SUBMITTER
Last Modified
18 October 2011