EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C5H12O7P2 |
| Net Charge | 0 |
| Average Mass | 246.092 |
| Monoisotopic Mass | 246.00583 |
| SMILES | C=C(C)CCOP(=O)(O)OP(=O)(O)O |
| InChI | InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8) |
| InChIKey | NUHSROFQTUXZQQ-UHFFFAOYSA-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: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. phosphoantigen Any antigen that is a phosphorylated microbial metabolite which activates an immune response in humans. epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). antigen Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isopentenyl diphosphate (CHEBI:16584) has role Escherichia coli metabolite (CHEBI:76971) |
| isopentenyl diphosphate (CHEBI:16584) has role antigen (CHEBI:59132) |
| isopentenyl diphosphate (CHEBI:16584) has role antioxidant (CHEBI:22586) |
| isopentenyl diphosphate (CHEBI:16584) has role epitope (CHEBI:53000) |
| isopentenyl diphosphate (CHEBI:16584) has role mouse metabolite (CHEBI:75771) |
| isopentenyl diphosphate (CHEBI:16584) has role phosphoantigen (CHEBI:59544) |
| isopentenyl diphosphate (CHEBI:16584) is a prenol phosphate (CHEBI:26250) |
| isopentenyl diphosphate (CHEBI:16584) is conjugate acid of isopentenyl diphosphate(3−) (CHEBI:128769) |
| Incoming Relation(s) |
| isopentenyl diphosphate(3−) (CHEBI:128769) is conjugate base of isopentenyl diphosphate (CHEBI:16584) |
| IUPAC Name |
|---|
| 3-methylbut-3-en-1-yl trihydrogen diphosphate |
| Synonyms | Source |
|---|---|
| 3-Methyl-3-butenyl pyrophosphate | ChemIDplus |
| 3-methylbut-3-en-1-yl trihydrogen diphosphate | PDBeChem |
| 3-methylbut-3-enyl phosphono hydrogen phosphate | PDBeChem |
| delta3-isopentenyl diphosphate | ChEBI |
| delta3-Isopentenyl diphosphate | KEGG COMPOUND |
| delta-3-Isopentenyl pyrophosphate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C00000848 | KNApSAcK |
| C00129 | KEGG COMPOUND |
| C00129 | KEGG COMPOUND |
| DB04714 | DrugBank |
| IPE | PDBeChem |
| Isopentenyl pyrophosphate | Wikipedia |
| LMPR01010008 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1713792 | Reaxys |
| CAS:358-71-4 | KEGG COMPOUND |
| CAS:358-71-4 | ChemIDplus |
| Citations |
|---|