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CHEBI:61911 - butane-1-sulfonate
| Formula | C4H9O3S |
| Net Charge | -1 |
| Average Mass | 137.180 |
| Monoisotopic Mass | 137.02779 |
| SMILES | CCCCS(=O)(=O)[O-] |
| InChI | InChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)/p-1 |
| InChIKey | QDHFHIQKOVNCNC-UHFFFAOYSA-M |
| Roles Classification |
|---|
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| butane-1-sulfonate (CHEBI:61911) is a 1,1-diunsubstituted alkanesulfonate (CHEBI:62081) |
| butane-1-sulfonate (CHEBI:61911) is conjugate base of butane-1-sulfonic acid (CHEBI:61958) |
| Incoming Relation(s) |
| butane-1-sulfonic acid (CHEBI:61958) is conjugate acid of butane-1-sulfonate (CHEBI:61911) |
| Synonyms | Source |
|---|---|
| 1-butanesulfonic acid (1−) | SUBMITTER |
| butane-1-sulfonic acid (1−) | SUBMITTER |
| n-butyl-1-sulfonate (1−) | SUBMITTER |
| 1-butanesulfonate | ChEBI |
| n-Butylsulfonatanion | ChEBI |
| Butan-1-sulfonat | ChEBI |
| UniProt Name | Source |
|---|---|
| butane-1-sulfonate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-3744 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3904079 | Reaxys |