EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C8H11NO3 |
| Net Charge | 0 |
| Average Mass | 169.180 |
| Monoisotopic Mass | 169.07389 |
| SMILES | NC[C@@H](O)c1ccc(O)c(O)c1 |
| InChI | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m1/s1 |
| InChIKey | SFLSHLFXELFNJZ-MRVPVSSYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-noradrenaline (CHEBI:33571) is a noradrenaline (CHEBI:33569) |
| (S)-noradrenaline (CHEBI:33571) is conjugate base of (S)-noradrenaline(1+) (CHEBI:234420) |
| (S)-noradrenaline (CHEBI:33571) is enantiomer of (R)-noradrenaline (CHEBI:18357) |
| Incoming Relation(s) |
| syncarpamide (CHEBI:66539) has functional parent (S)-noradrenaline (CHEBI:33571) |
| (S)-noradrenaline(1+) (CHEBI:234420) is conjugate acid of (S)-noradrenaline (CHEBI:33571) |
| (R)-noradrenaline (CHEBI:18357) is enantiomer of (S)-noradrenaline (CHEBI:33571) |
| IUPAC Name |
|---|
| 4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol |
| Manual Xrefs | Databases |
|---|---|
| LSM-37072 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2937999 | Reaxys |