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CHEBI:208242 - Preubetain C
| Formula | C15H21NO3 |
| Net Charge | 0 |
| Average Mass | 263.337 |
| Monoisotopic Mass | 263.15214 |
| SMILES | CN1[C@H](CCC(=O)O)C[C@H](O)[C@@H]1Cc1ccccc1 |
| InChI | InChI=1S/C15H21NO3/c1-16-12(7-8-15(18)19)10-14(17)13(16)9-11-5-3-2-4-6-11/h2-6,12-14,17H,7-10H2,1H3,(H,18,19)/t12-,13+,14+/m1/s1 |
| InChIKey | ZFYRHXDZVLSFEC-RDBSUJKOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | |||
| - | PubMed (30350993) | ||
| - | PubMed (29642369) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Preubetain C (CHEBI:208242) is a aralkylamine (CHEBI:18000) |
| IUPAC Names |
|---|
| (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol |
| 3-[(2R,4S,5S)-5-benzyl-4-hydroxy-1-methylpyrrolidin-2-yl]propanoic acid |