CHEBI:17816 - 1D-myo-inositol 1,4-bisphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1D-myo-inositol 1,4-bisphosphate
ChEBI ID CHEBI:17816
ChEBI ASCII Name 1D-myo-inositol 1,4-bisphosphate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19193, CHEBI:39760, CHEBI:11353, CHEBI:812, CHEBI:12827
Supplier Information
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Formula C6H14O12P2
Net Charge 0
Average Mass 340.11568
Monoisotopic Mass 339.996
InChI InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1
InChIKey PELZSPZCXGTUMR-RTPHHQFDSA-N
SMILES O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:10090) 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-bisphosphate (CHEBI:17816) has functional parent myo-inositol (CHEBI:17268)
1D-myo-inositol 1,4-bisphosphate (CHEBI:17816) has role mouse metabolite (CHEBI:75771)
1D-myo-inositol 1,4-bisphosphate (CHEBI:17816) is a myo-inositol bisphosphate (CHEBI:25443)
1D-myo-inositol 1,4-bisphosphate (CHEBI:17816) is conjugate acid of 1D-myo-inositol 1,4-bisphosphate(4−) (CHEBI:58282)
Incoming 1D-myo-inositol 1,4-bisphosphate(4−) (CHEBI:58282) is conjugate base of 1D-myo-inositol 1,4-bisphosphate (CHEBI:17816)
IUPAC Name
1D-myo-inositol 1,4-bis(dihydrogen phosphate)
Synonyms Sources
1D-myo-Inositol 1,4-bisphosphate KEGG COMPOUND
D-myo-Inositol 1,4-bisphosphate KEGG COMPOUND
D-MYO-INOSITOL-1,4-BISPHOSPHATE PDBeChem
Inositol 1,4-bisphosphate KEGG COMPOUND
myo-Inositol 1,4-bisphosphate KEGG COMPOUND
myo-inositol 1,4-bisphosphate ChEBI
Database Links Databases
2IP PDBeChem
C00007484 KNApSAcK
C01220 KEGG COMPOUND
DB03158 DrugBank
View more database links
Registry Numbers Types Sources
3628157 Beilstein Registry Number Beilstein
47055-78-7 CAS Registry Number KEGG COMPOUND
74465-19-3 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016