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CHEBI:185588 - {2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetracosanoyloxy)propoxy}[2-(methylamino)ethoxy]phosphinic acid
| Formula | C52H96NO8P |
| Net Charge | 0 |
| Average Mass | 894.313 |
| Monoisotopic Mass | 893.68736 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCNC |
| InChI | InChI=1S/C52H96NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53-3)61-52(55)45-43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-5-2/h13,15,19,21,26,29,33,35,50,53H,4-12,14,16-18,20,22-25,27-28,30-32,34,36-49H2,1-3H3,(H,56,57)/b15-13-,21-19-,29-26-,35-33- |
| InChIKey | RQAQYJJCTYEKBQ-FAXKEVKRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | spermatozoon (BTO:0001277) | MetaboLights (MTBLS1071) | Strain: Holstein [LBO:0000132] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| {2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetracosanoyloxy)propoxy}[2-(methylamino)ethoxy]phosphinic acid (CHEBI:185588) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] tetracosanoate |
| Manual Xrefs | Databases |
|---|---|
| 74850595 | ChemSpider |
| HMDB0113724 | HMDB |