CHEBI:16595 - 1D-myo-inositol 1,4,5-trisphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1D-myo-inositol 1,4,5-trisphosphate
ChEBI ID CHEBI:16595
ChEBI ASCII Name 1D-myo-inositol 1,4,5-trisphosphate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4276, CHEBI:11363, CHEBI:43249, CHEBI:12894, CHEBI:19192, CHEBI:12892
Supplier Information ZINC000004095598
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Formula C6H15O15P3
Net Charge 0
Average Mass 420.09560
Monoisotopic Mass 419.96238
InChI InChI=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
InChIKey MMWCIQZXVOZEGG-XJTPDSDZSA-N
SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1D-myo-inositol 1,4,5-trisphosphate (CHEBI:16595) has role mouse metabolite (CHEBI:75771)
1D-myo-inositol 1,4,5-trisphosphate (CHEBI:16595) is a myo-inositol trisphosphate (CHEBI:25450)
1D-myo-inositol 1,4,5-trisphosphate (CHEBI:16595) is conjugate acid of 1D-myo-inositol 1,4,5-trisphosphate(6−) (CHEBI:203600)
Incoming D-myo-Ins(1,4,5)P3 hexakis(butyryloxymethyl) ester (CHEBI:138527) has functional parent 1D-myo-inositol 1,4,5-trisphosphate (CHEBI:16595)
1D-myo-inositol 1,4,5-trisphosphate(6−) (CHEBI:203600) is conjugate base of 1D-myo-inositol 1,4,5-trisphosphate (CHEBI:16595)
IUPAC Name
1D-myo-inositol 1,4,5-tris(dihydrogen phosphate)
Synonyms Sources
1,4,5-Insp3 ChemIDplus
1D-myo-Inositol 1,4,5-trisphosphate KEGG COMPOUND
D-myo-Inositol 1,4,5-trisphosphate KEGG COMPOUND
D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE PDBeChem
Inositol 1,4,5-trisphosphate KEGG COMPOUND
Ins(1,4,5)P3 KEGG COMPOUND
InsP3 ChEBI
IP3 ChEBI
Manual Xrefs Databases
C00007460 KNApSAcK
C01245 KEGG COMPOUND
DB03401 DrugBank
I3P PDBeChem
View more database links
Registry Numbers Types Sources
3658346 Beilstein Registry Number Beilstein
85166-31-0 CAS Registry Number ChemIDplus
Last Modified
20 November 2017