EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C46H84O10 |
| Net Charge | 0 |
| Average Mass | 797.168 |
| Monoisotopic Mass | 796.60645 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC1CC1CCCCCCCC)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C46H84O10/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-23-28-32-42(49)55-39(36-54-46-45(52)44(51)43(50)40(34-47)56-46)35-53-41(48)31-27-24-20-22-26-30-38-33-37(38)29-25-21-10-8-6-4-2/h14-15,37-40,43-47,50-52H,3-13,16-36H2,1-2H3/b15-14-/t37?,38?,39-,40-,43-,44+,45-,46+/m1/s1 |
| InChIKey | ZKVQYSXDKQXNEC-BOFHXVAVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lactiplantibacillus plantarum (ncbitaxon:1590) | - | PubMed (22683117) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GL-1 (CHEBI:207319) is a glycosylglycerol derivative (CHEBI:63427) |
| IUPAC Name |
|---|
| [(2S)-1-[8-(2-octylcyclopropyl)octanoyloxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate |
| Manual Xrefs | Databases |
|---|---|
| 78443507 | ChemSpider |