EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:760723 - 3-(glutathion-S-yl)octanal(1-)
| Formula | C18H30N3O7S |
| Net Charge | -1 |
| Average Mass | 432.519 |
| Monoisotopic Mass | 432.18099 |
| SMILES | [H]C(=O)CC(CCCCC)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] |
| InChI | InChI=1S/C18H31N3O7S/c1-2-3-4-5-12(8-9-22)29-11-14(17(26)20-10-16(24)25)21-15(23)7-6-13(19)18(27)28/h9,12-14H,2-8,10-11,19H2,1H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1/t12?,13-,14-/m0/s1 |
| InChIKey | CNOCJLKBIKCKPF-TTZKSVMKSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(glutathion-S-yl)octanal(1-) (CHEBI:760723) is a S-substituted glutathione(1−) (CHEBI:90779) |
| 3-(glutathion-S-yl)octanal(1-) (CHEBI:760723) is a fatty aldehyde (CHEBI:35746) |
| UniProt Name | Source |
|---|---|
| 3-(glutathion-S-yl)octanal | UniProt |
| Citations |
|---|