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CHEBI:17559 - 3α(S)-strictosidine
| Formula | C27H34N2O9 |
| Net Charge | 0 |
| Average Mass | 530.574 |
| Monoisotopic Mass | 530.22643 |
| SMILES | [H][C@@]1(C[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2C=C)NCCc2c1nc1ccccc21 |
| InChI | InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1 |
| InChIKey | XBAMJZTXGWPTRM-NTXHKPOFSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3α(S)-strictosidine (CHEBI:17559) is a alkaloid ester (CHEBI:38481) |
| 3α(S)-strictosidine (CHEBI:17559) is a indole alkaloid (CHEBI:38958) |
| 3α(S)-strictosidine (CHEBI:17559) is a methyl ester (CHEBI:25248) |
| 3α(S)-strictosidine (CHEBI:17559) is a β-D-glucoside (CHEBI:22798) |
| 3α(S)-strictosidine (CHEBI:17559) is conjugate base of 3α(S)-strictosidinium(1+) (CHEBI:58193) |
| Incoming Relation(s) |
| 3α(S)-strictosidinium(1+) (CHEBI:58193) is conjugate acid of 3α(S)-strictosidine (CHEBI:17559) |
| IUPAC Name |
|---|
| methyl (2S,3R,4S)-3-ethenyl-2-(β-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate |
| Synonyms | Source |
|---|---|
| 3-alpha(S)-Strictosidine | KEGG COMPOUND |
| Strictosidine | KEGG COMPOUND |