EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H13ClO5 |
| Net Charge | 0 |
| Average Mass | 236.651 |
| Monoisotopic Mass | 236.04515 |
| SMILES | COC(=O)C[C@H](O)COC(=O)/C=C/CCl |
| InChI | InChI=1S/C9H13ClO5/c1-14-9(13)5-7(11)6-15-8(12)3-2-4-10/h2-3,7,11H,4-6H2,1H3/b3-2+/t7-/m0/s1 |
| InChIKey | GLWKWBIUIXELQR-AIYRYJHASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Leptolyngbya (ncbitaxon:47251) | - | PubMed (22633410) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Honaucin C (CHEBI:214494) is a 3-hydroxy carboxylic acid (CHEBI:61355) |
| IUPAC Name |
|---|
| methyl (3S)-4-[(E)-4-chlorobut-2-enoyl]oxy-3-hydroxybutanoate |
| Manual Xrefs | Databases |
|---|---|
| 29214640 | ChemSpider |