EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C40H75NO8 |
| Net Charge | 0 |
| Average Mass | 698.039 |
| Monoisotopic Mass | 697.54927 |
| SMILES | CCCCCCC/C=C/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C40H75NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-36(44)41-33(34(43)29-27-25-23-21-12-10-8-6-4-2)32-48-40-39(47)38(46)37(45)35(31-42)49-40/h23,25,27,29,33-35,37-40,42-43,45-47H,3-22,24,26,28,30-32H2,1-2H3,(H,41,44)/b25-23+,29-27+/t33-,34+,35+,37+,38?,39?,40+/m0/s1 |
| InChIKey | OUNKXINEFCMJJI-VMSUNUIVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | Esophagus (BTO:0000959) | MetaboLights (MTBLS3014) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GlcCer(d14:2(4E,6E)/20:0) (CHEBI:183000) is a O-acyl carbohydrate (CHEBI:52782) |
| IUPAC Name |
|---|
| N-[(2S,3R,4E,6E)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-4,6-dien-2-yl]icosanamide |