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CHEBI:170074 - PC(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
| Formula | C45H76NO8P |
| Net Charge | 0 |
| Average Mass | 790.076 |
| Monoisotopic Mass | 789.53086 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C45H76NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h8,10,14-17,20-21,23-24,26,28,32,34,43H,6-7,9,11-13,18-19,22,25,27,29-31,33,35-42H2,1-5H3/b10-8-,16-14-,17-15-,21-20-,24-23-,28-26-,34-32-/t43-/m1/s1 |
| InChIKey | XNZFLHDUNBGYBT-ACNMEUTMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:170074) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) |
| IUPAC Name |
|---|
| [(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| LMGP01011461 | LIPID MAPS |