CHEBI:62930 - 3,5-bis(diphospho)-1D-myo-inositol 1,4,6-trisphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,5-bis(diphospho)-1D-myo-inositol 1,4,6-trisphosphate
ChEBI ID CHEBI:62930
ChEBI ASCII Name 3,5-bis(diphospho)-1D-myo-inositol 1,4,6-trisphosphate
Definition A 1D-myo-inositol bis(diphosphate) trisphosphate having the three phospho groups located at positions 1, 4 and 6 and the two diphospho groups at positions 3 and 5.
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(27-34(8,9)10)4(28-35(11,12)13)6(31-40(25,26)33-38(20,21)22)5(29-36(14,15)16)3(1)30-39(23,24)32-37(17,18)19/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+/m0/s1
InChIKey UILZAHJLPZIRKP-UZAAGFTCSA-N
SMILES 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)OP(O)(O)=O
ChEBI Ontology
Outgoing 3,5-bis(diphospho)-1D-myo-inositol 1,4,6-trisphosphate (CHEBI:62930) has functional parent myo-inositol (CHEBI:17268)
3,5-bis(diphospho)-1D-myo-inositol 1,4,6-trisphosphate (CHEBI:62930) is a 1D-myo-inositol bis(diphosphate) trisphosphate (CHEBI:62957)
IUPAC Name
1,4,6-tris-O-1D-phosphono-myo-inositol 3,5-bis[trihydrogen (diphosphate)]
Synonyms Sources
(1R,2R,3S,4S,5R,6S)-4-hydroxy-2,5,6-tris(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] IUPAC
3,5-(PP)2-IP3 SUBMITTER
Last Modified
18 October 2011