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CHEBI:15622 - 2,3-diketogulonic acid
| Formula | C6H8O7 |
| Net Charge | 0 |
| Average Mass | 192.123 |
| Monoisotopic Mass | 192.02700 |
| SMILES | O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO |
| WURCS | WURCS=2.0/1,1,0/[AOO21h]/1/ |
| InChI | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1 |
| InChIKey | GJQWCDSAOUMKSE-STHAYSLISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3-diketogulonic acid (CHEBI:15622) has role Escherichia coli metabolite (CHEBI:76971) |
| 2,3-diketogulonic acid (CHEBI:15622) is a carbohydrate acid (CHEBI:33720) |
| 2,3-diketogulonic acid (CHEBI:15622) is a dioxo monocarboxylic acid (CHEBI:35951) |
| 2,3-diketogulonic acid (CHEBI:15622) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| 2,3-diketogulonic acid (CHEBI:15622) is a α-diketone (CHEBI:51869) |
| 2,3-diketogulonic acid (CHEBI:15622) is conjugate acid of 2,3-diketogulonate (CHEBI:57441) |
| Incoming Relation(s) |
| 2,3-diketogulonate (CHEBI:57441) is conjugate base of 2,3-diketogulonic acid (CHEBI:15622) |
| IUPAC Names |
|---|
| (4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid |
| L-threo-hexo-2,3-diulosonic acid |
| Synonyms | Source |
|---|---|
| (4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate | KEGG COMPOUND |
| (4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoate | ChEBI |
| threo-2,3-Hexodiulosonic acid | ChemIDplus |
| 2,3-diketo-L-gulonic acid | ChEBI |
| diketo-L-gulonic acid | ChEBI |
| L-threo-(2,3)-Hexodiulosonsäure | ChEBI |
| Citations |
|---|