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CHEBI:84794 - 1-hexadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine
| Formula | C44H80NO8P |
| Net Charge | 0 |
| Average Mass | 782.097 |
| Monoisotopic Mass | 781.56216 |
| SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC |
| InChI | InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14+,21-20+,25-23+,31-29+/t42-/m1/s1 |
| InChIKey | IIZPXYDJLKNOIY-LBKRVYFZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS143) |
| Roles Classification |
|---|
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-hexadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine (CHEBI:84794) has role mouse metabolite (CHEBI:75771) |
| 1-hexadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine (CHEBI:84794) is a phosphatidylcholine 36:4 (CHEBI:64520) |
| IUPAC Name |
|---|
| (2R)-3-(hexadecanoyloxy)-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate |
| Synonyms | Source |
|---|---|
| PC(16:0/20:4(5E,8E,11E,14E)) | LIPID MAPS |
| PC(16:0/20:4) | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| LMGP01010629 | LIPID MAPS |