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

ChEBI IDCHEBI:17816
ChEBI Name1D-myo-inositol 1,4-bisphosphate
Stars
ASCII Name1D-myo-inositol 1,4-bisphosphate
Secondary ChEBI IDsCHEBI:812, CHEBI:11353, CHEBI:12827, CHEBI:19193, CHEBI:39760
Last Modified27 January 2016
DownloadsMolfile
FormulaC6H14O12P2
Net Charge0
Average Mass340.114
Monoisotopic Mass339.99605
SMILESO=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyPELZSPZCXGTUMR-RTPHHQFDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
1D-myo-Inositol 1,4-bisphosphateKEGG COMPOUND
D-myo-Inositol 1,4-bisphosphateKEGG COMPOUND
myo-Inositol 1,4-bisphosphateKEGG COMPOUND
Inositol 1,4-bisphosphateKEGG COMPOUND
myo-inositol 1,4-bisphosphateChEBI
D-MYO-INOSITOL-1,4-BISPHOSPHATEPDBeChem
Manual XrefsDatabases
C01220KEGG COMPOUND
2IPPDBeChem
DB03158DrugBank
C00007484KNApSAcK
Registry NumbersSources
Beilstein:3628157Beilstein
CAS:47055-78-7KEGG COMPOUND
CAS:74465-19-3KEGG COMPOUND