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CHEBI:30918 - 3-dehydroshikimic acid
| Formula | C7H8O5 |
| Net Charge | 0 |
| Average Mass | 172.136 |
| Monoisotopic Mass | 172.03717 |
| SMILES | O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1 |
| InChI | InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1 |
| InChIKey | SLWWJZMPHJJOPH-PHDIDXHHSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Centella asiatica (ncbitaxon:48106) | - | MetaboLights (MTBLS175) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-dehydroshikimic acid (CHEBI:30918) has functional parent shikimic acid (CHEBI:16119) |
| 3-dehydroshikimic acid (CHEBI:30918) has role plant metabolite (CHEBI:76924) |
| 3-dehydroshikimic acid (CHEBI:30918) is a 4-hydroxy monocarboxylic acid (CHEBI:35970) |
| 3-dehydroshikimic acid (CHEBI:30918) is a 4-oxo monocarboxylic acid (CHEBI:35950) |
| 3-dehydroshikimic acid (CHEBI:30918) is a 5-hydroxy monocarboxylic acid (CHEBI:37125) |
| 3-dehydroshikimic acid (CHEBI:30918) is a secondary α-hydroxy ketone (CHEBI:2468) |
| 3-dehydroshikimic acid (CHEBI:30918) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| 3-dehydroshikimic acid (CHEBI:30918) is conjugate acid of 3-dehydroshikimate (CHEBI:16630) |
| Incoming Relation(s) |
| 3-dehydroshikimate (CHEBI:16630) is conjugate base of 3-dehydroshikimic acid (CHEBI:30918) |
| IUPAC Name |
|---|
| (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid |
| Synonyms | Source |
|---|---|
| 3-Dehydroshikimate | KEGG COMPOUND |
| (−)-3-dehydroshikimic acid | ChEBI |
| 3-dehydroshikimic acid | ChEBI |
| 5-Dehydroshikimate | KEGG COMPOUND |
| 5-dehydroshikimic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 3-Dehydroshikimic_acid | Wikipedia |
| C00019663 | KNApSAcK |
| C02637 | KEGG COMPOUND |
| DB04347 | DrugBank |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2938338 | Reaxys |
| Citations |
|---|