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CHEBI:30838 - itaconic acid
| Formula | C5H6O4 |
| Net Charge | 0 |
| Average Mass | 130.099 |
| Monoisotopic Mass | 130.02661 |
| SMILES | C=C(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) |
| InChIKey | LVHBHZANLOWSRM-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (23610393) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| itaconic acid (CHEBI:30838) has functional parent succinic acid (CHEBI:15741) |
| itaconic acid (CHEBI:30838) has role fungal metabolite (CHEBI:76946) |
| itaconic acid (CHEBI:30838) has role human metabolite (CHEBI:77746) |
| itaconic acid (CHEBI:30838) is a dicarboxylic acid (CHEBI:35692) |
| itaconic acid (CHEBI:30838) is a dicarboxylic fatty acid (CHEBI:189840) |
| itaconic acid (CHEBI:30838) is a olefinic compound (CHEBI:78840) |
| itaconic acid (CHEBI:30838) is conjugate acid of itaconate(2−) (CHEBI:17240) |
| Incoming Relation(s) |
| tensyuic acid (CHEBI:133873) has functional parent itaconic acid (CHEBI:30838) |
| itaconate(2−) (CHEBI:17240) is conjugate base of itaconic acid (CHEBI:30838) |
| IUPAC Name |
|---|
| 2-methylidenebutanedioic acid |
| Synonyms | Source |
|---|---|
| 2-methylenesuccinic acid | NIST Chemistry WebBook |
| 2-propene-1,2-dicarboxylic acid | NIST Chemistry WebBook |
| Itaconic acid | KEGG COMPOUND |
| methylenebutanedioic acid | NIST Chemistry WebBook |
| Methylenesuccinic acid | KEGG COMPOUND |
| propylenedicarboxylic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| C00033964 | KNApSAcK |
| C00490 | KEGG COMPOUND |
| ECMDB02092 | ECMDB |
| HMDB0002092 | HMDB |
| ITACONATE | MetaCyc |
| Itaconic_acid | Wikipedia |
| LMFA01170063 | LIPID MAPS |
| YMDB00716 | YMDB |
| Citations |
|---|