EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16507 - 1D-myo-inositol 1,2,4,5,6-pentakisphosphate

Default Structure
ChEBI IDCHEBI:16507
ChEBI Name1D-myo-inositol 1,2,4,5,6-pentakisphosphate
Stars
ASCII Name1D-myo-inositol 1,2,4,5,6-pentakisphosphate
DefinitionA myo-inositol pentakisphosphate comprising 1D-myo-inositol having the five phosphate groups placed in the 1-' 2-' 4-, 5- and 6-positions.
Secondary ChEBI IDsCHEBI:4273, CHEBI:11357, CHEBI:12890, CHEBI:19185
Last Modified18 October 2010
DownloadsMolfile
FormulaC6H17O21P5
Net Charge0
Average Mass580.051
Monoisotopic Mass579.89504
SMILESO=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
InChIInChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(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-/m1/s1
InChIKeyCTPQAXVNYGZUAJ-XCMZKKERSA-N
ChEBI Ontology
Outgoing Relation(s)
1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:16507) has functional parent myo-inositol (CHEBI:17268)
1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:16507) is a myo-inositol pentakisphosphate (CHEBI:25447)
1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:16507) is conjugate acid of 1D-myo-inositol 1,2,4,5,6-pentakisphosphate(10−) (CHEBI:57798)
Incoming Relation(s)
1D-myo-inositol 1,2,4,5,6-pentakisphosphate(10−) (CHEBI:57798) is conjugate base of 1D-myo-inositol 1,2,4,5,6-pentakisphosphate (CHEBI:16507)
IUPAC Name 
1D-myo-inositol 1,2,4,5,6-pentakis(dihydrogen phosphate)
Synonyms  Source
1D-myo-Inositol 1,2,4,5,6-pentakisphosphateKEGG COMPOUND
D-myo-Inositol 1,2,4,5,6-pentakisphosphateKEGG COMPOUND
Inositol 1,2,4,5,6-pentakisphosphateKEGG COMPOUND
myo-Inositol 1,2,4,5,6-pentakisphosphateKEGG COMPOUND
Manual XrefsDatabases
C04563KEGG COMPOUND
Registry NumbersSources
Beilstein:10136263Beilstein
Beilstein:7792694Beilstein
Beilstein:9534448Beilstein
CAS:20298-95-7KEGG COMPOUND