| BioID | bio197758 |
|---|
| Name | ITACONATE |
|---|
| ChEMBL ID | CHEMBL359159 |
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| Molecular Formula | C5H6O4 |
|---|
| Molecular Weight | 130.1 |
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| Molecular Weight (Monoisotopic) | 130.0266 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 2-Methylene-Succinic Acid|2-Methylenesuccinic Acid|Itaconate |
|---|
| Smiles | C=C(CC(=O)O)C(=O)O |
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| Inchi | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) |
|---|
| Inchi Key | LVHBHZANLOWSRM-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 23.0 |
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| Np Likeness Score | 1.7 |
|---|
| Records Key | ['itaconic acid', 'itaconate', 'itaconic acid', 'SID144208497', 'SID144213388', '9', 'Itaconic acid', 'Itaconate'] |
|---|
| Records Name | ['2-methylenesuccinic acid', 'itaconate', '2-methylenesuccinic acid', 'SID144208497', 'SID144213388', '2-Methylene-succinic acid', 'Itaconic acid', 'Itaconate'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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