EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H14O12P2 |
| Net Charge | 0 |
| Average Mass | 340.114 |
| Monoisotopic Mass | 339.99605 |
| SMILES | O=P(O)(O)OC1[C@@H](O)[C@@H](O)C(OP(=O)(O)O)[C@H](O)[C@H]1O |
| 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-MBEOBJKWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | INS-1 cell (BTO:0002135) | MetaboLights (MTBLS3963) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| D-myo-inositol-1,4-diphosphate (CHEBI:191032) is a inositol phosphate (CHEBI:24846) |
| IUPAC Name |
|---|
| [(2R,3R,5R,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate |