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CHEBI:62918 - 1D-myo-inositol 3,4,6-trisphosphate

Default Structure
ChEBI IDCHEBI:62918
ChEBI Name1D-myo-inositol 3,4,6-trisphosphate
Stars
ASCII Name1D-myo-inositol 3,4,6-trisphosphate
DefinitionA myo-inositol trisphosphate having the three phosphate groups at the 3-, 4-, and 6-positions.
Last Modified22 September 2011
Submittermwilliams
DownloadsMolfile
FormulaC6H15O15P3
Net Charge0
Average Mass420.093
Monoisotopic Mass419.96238
SMILESO=P(O)(O)O[C@H]1[C@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1O
InChIInChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4+,5+,6+/m1/s1
InChIKeyMMWCIQZXVOZEGG-GSRZWBRNSA-N
ChEBI Ontology
Outgoing Relation(s)
1D-myo-inositol 3,4,6-trisphosphate (CHEBI:62918) has functional parent myo-inositol (CHEBI:17268)
1D-myo-inositol 3,4,6-trisphosphate (CHEBI:62918) is a myo-inositol trisphosphate (CHEBI:25450)
1D-myo-inositol 3,4,6-trisphosphate (CHEBI:62918) is conjugate acid of 1D-myo-inositol 3,4,6-trisphosphate(6−) (CHEBI:189099)
Incoming Relation(s)
1D-myo-inositol 3,4,6-trisphosphate(6−) (CHEBI:189099) is conjugate base of 1D-myo-inositol 3,4,6-trisphosphate (CHEBI:62918)
IUPAC Name 
1D-myo-inositol 3,4,6-tris(dihydrogen phosphate)
Synonyms  Source
(1S,2S,3R,4S,5R,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]IUPAC
1D-myo-inositol 3,4,6-triphosphateChEBI
1D-myo-inositol (3,4,6)-trisphosphateMetaCyc
1L-myo-inositol 1,4,6-trisphosphateChEBI
I(3,4,6)P3MetaCyc
D-myo-inositol 3,4,6-triphosphateChEBI
Manual XrefsDatabases
CPD-6681MetaCyc
Registry NumbersSources
Reaxys:7629575Reaxys