EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H59NO3 |
| Net Charge | 0 |
| Average Mass | 505.828 |
| Monoisotopic Mass | 505.44949 |
| SMILES | CCCCCCC/C=C/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C32H59NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h15-16,21,23,25,27,30-31,34-35H,3-14,17-20,22,24,26,28-29H2,1-2H3,(H,33,36)/b16-15-,23-21+,27-25+/t30-,31+/m0/s1 |
| InChIKey | CGTRJQCZAJENJT-LPDDRZGOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cer(d14:2(4E,6E)/18:1(9Z)) (CHEBI:168984) is a fatty amide (CHEBI:29348) |
| IUPAC Name |
|---|
| (Z)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]octadec-9-enamide |
| Manual Xrefs | Databases |
|---|---|
| LMSP02010053 | LIPID MAPS |