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CHEBI:9629 - tomatidine
| Formula | C27H45NO2 |
| Net Charge | 0 |
| Average Mass | 415.662 |
| Monoisotopic Mass | 415.34503 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(CC[C@H](C)CN5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2 |
| InChI | InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | XYNPYHXGMWJBLV-VXPJTDKGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tomatidine (CHEBI:9629) has parent hydride tomatidane (CHEBI:36196) |
| tomatidine (CHEBI:9629) is a 3β-hydroxy steroid (CHEBI:36836) |
| tomatidine (CHEBI:9629) is a azaspiro compound (CHEBI:35624) |
| tomatidine (CHEBI:9629) is a oxaspiro compound (CHEBI:37948) |
| tomatidine (CHEBI:9629) is conjugate base of tomatidine(1+) (CHEBI:166999) |
| Incoming Relation(s) |
| tomatidine 3-O-β-D-glucopyranoside(1+) (CHEBI:166998) has functional parent tomatidine (CHEBI:9629) |
| tomatine (CHEBI:9630) has functional parent tomatidine (CHEBI:9629) |
| tomatidine(1+) (CHEBI:166999) is conjugate acid of tomatidine (CHEBI:9629) |
| IUPAC Name |
|---|
| (22S,25S)-5α-spirosolan-3β-ol |
| Synonyms | Source |
|---|---|
| Tomatidine | KEGG COMPOUND |
| (3β,5α,22β,25S)-spirosolan-3-ol | NIST Chemistry WebBook |
| 5α-tomatidan-3β-ol | NIST Chemistry WebBook |
| Tomatidin | ChemIDplus |
| Citations |
|---|