EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C41H84NO7P |
| Net Charge | 0 |
| Average Mass | 734.097 |
| Monoisotopic Mass | 733.59854 |
| SMILES | CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C41H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42(3,4)5)38-46-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1 |
| InChIKey | XICKKYKPOSFLFP-RRHRGVEJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | hTERT-RPE1 cell (BTO:0004790) | MetaboLights (MTBLS682) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(O-16:0/17:0) (CHEBI:191338) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186) |
| IUPAC Name |
|---|
| [(2R)-2-heptadecanoyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| 24822852 | ChemSpider |
| LMGP01020031 | LIPID MAPS |