EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C4H2O4 |
| Net Charge | -2 |
| Average Mass | 114.056 |
| Monoisotopic Mass | 113.99641 |
| SMILES | O=C([O-])/C=C/C(=O)[O-] |
| InChI | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+ |
| InChIKey | VZCYOOQTPOCHFL-OWOJBTEDSA-L |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| fumarate(2−) (CHEBI:29806) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| fumarate(2−) (CHEBI:29806) has role human metabolite (CHEBI:77746) |
| fumarate(2−) (CHEBI:29806) has role metabolite (CHEBI:25212) |
| fumarate(2−) (CHEBI:29806) is a butenedioate (CHEBI:36180) |
| fumarate(2−) (CHEBI:29806) is a C4-dicarboxylate (CHEBI:61336) |
| fumarate(2−) (CHEBI:29806) is conjugate base of fumarate(1−) (CHEBI:37154) |
| Incoming Relation(s) |
| dihydroxyfumarate(2−) (CHEBI:17795) has functional parent fumarate(2−) (CHEBI:29806) |
| mesaconate(2−) (CHEBI:36986) has functional parent fumarate(2−) (CHEBI:29806) |
| disodium fumarate (CHEBI:115156) has part fumarate(2−) (CHEBI:29806) |
| fumarate(1−) (CHEBI:37154) is conjugate acid of fumarate(2−) (CHEBI:29806) |
| IUPAC Name |
|---|
| (2E)-but-2-enedioate |
| Synonyms | Source |
|---|---|
| (E)-2-butenedioic acid, ion(2−) | ChemIDplus |
| FUMARATE | PDBeChem |
| (2E)-but-2-enedioate | ChEBI |
| UniProt Name | Source |
|---|---|
| fumarate | UniProt |
| Citations |
|---|