EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:189571 - [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z)-octadeca-4,7-dienoyl]oxypropyl] octadecanoate
| Formula | C41H78NO8P |
| Net Charge | 0 |
| Average Mass | 744.048 |
| Monoisotopic Mass | 743.54651 |
| SMILES | CCCCCCCCCC/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN |
| InChI | InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,28,30,39H,3-21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b24-22-,30-28- |
| InChIKey | CJVLBVKIFVTUPS-JSCMVKKRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Klebsiella pneumoniae (ncbitaxon:573) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS4132) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z)-octadeca-4,7-dienoyl]oxypropyl] octadecanoate (CHEBI:189571) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z)-octadeca-4,7-dienoyl]oxypropyl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 24608253 | ChemSpider |