EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C55H110NO8P |
| Net Charge | 0 |
| Average Mass | 944.458 |
| Monoisotopic Mass | 943.79691 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C55H110NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-54(57)61-51-53(52-63-65(59,60)62-50-49-56(3)4)64-55(58)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h53H,5-52H2,1-4H3,(H,59,60) |
| InChIKey | ZHPAKNHWUTZNPY-UHFFFAOYSA-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) |
| PE-NMe2(24:0/24:0) (CHEBI:169652) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-tetracosanoyloxypropyl] tetracosanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0114629 | HMDB |
| 74851416 | ChemSpider |