EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H16O9 |
| Net Charge | 0 |
| Average Mass | 268.218 |
| Monoisotopic Mass | 268.07943 |
| SMILES | [H][C@@]1([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/1,1,0/[Aad21122h-2b_2-6]/1/ |
| InChI | InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1 |
| InChIKey | CLRLHXKNIYJWAW-YOQZMRDMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bacteroides thetaiotaomicron (ncbitaxon:818) | - | PubMed (18986982) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593) has role bacterial metabolite (CHEBI:76969) |
| 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593) is a deaminoneuraminic acid (CHEBI:71429) |
| 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593) is conjugate acid of 3-deoxy-D-glycero-β-D-galacto-nonulosonate (CHEBI:90988) |
| Incoming Relation(s) |
| CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131596) has functional parent 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593) |
| 3-deoxy-D-glycero-β-D-galacto-nonulosonate (CHEBI:90988) is conjugate base of 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593) |
| Synonyms | Source |
|---|---|
| 2-keto-3-deoxy-D-glycero-β-D-galacto-nononic acid | ChEBI |
| deamino-β-neuraminic acid | ChEBI |
| β-KDN | ChEBI |
| Citations |
|---|