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CHEBI:17401 - myo-inositol hexakisphosphate
| Formula | C6H18O24P6 |
| Net Charge | 0 |
| Average Mass | 660.030 |
| Monoisotopic Mass | 659.86137 |
| SMILES | O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O |
| InChI | InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6- |
| InChIKey | IMQLKJBTEOYOSI-GPIVLXJGSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | |
| Biological Roles: | cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). signalling molecule A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| myo-inositol hexakisphosphate (CHEBI:17401) has role Escherichia coli metabolite (CHEBI:76971) |
| myo-inositol hexakisphosphate (CHEBI:17401) has role antineoplastic agent (CHEBI:35610) |
| myo-inositol hexakisphosphate (CHEBI:17401) has role cofactor (CHEBI:23357) |
| myo-inositol hexakisphosphate (CHEBI:17401) has role iron chelator (CHEBI:38157) |
| myo-inositol hexakisphosphate (CHEBI:17401) has role mouse metabolite (CHEBI:75771) |
| myo-inositol hexakisphosphate (CHEBI:17401) has role signalling molecule (CHEBI:62488) |
| myo-inositol hexakisphosphate (CHEBI:17401) is a myo-inositol hexakisphosphates (CHEBI:25445) |
| myo-inositol hexakisphosphate (CHEBI:17401) is conjugate acid of myo-inositol hexakisphosphate(12−) (CHEBI:58130) |
| Incoming Relation(s) |
| myo-inositol hexakisphosphate(12−) (CHEBI:58130) is conjugate base of myo-inositol hexakisphosphate (CHEBI:17401) |
| IUPAC Name |
|---|
| myo-inositol hexakis(dihydrogen phosphate) |
| INNs | Source |
|---|---|
| acide fytique | ChemIDplus |
| acidum fyticum | ChemIDplus |
| acido fitico | ChemIDplus |
| Synonyms | Source |
|---|---|
| myo-Inositol hexakisphosphate | KEGG COMPOUND |
| Phytic acid | KEGG COMPOUND |
| Phytate | KEGG COMPOUND |
| 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate | KEGG COMPOUND |
| D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate | KEGG COMPOUND |
| myo-inositol 1,2,3,4,5,6-hexakisphosphate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C01204 | KEGG COMPOUND |
| HEXAKISPHOSPHATE | MetaCyc |
| Phytic_acid | Wikipedia |
| 3465 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2201952 | Reaxys |
| CAS:83-86-3 | ChemIDplus |
| Citations |
|---|