EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:170720 - PC(P-18:1(9Z)/P-18:1(11Z))
| Formula | C44H84NO6P |
| Net Charge | 0 |
| Average Mass | 754.131 |
| Monoisotopic Mass | 753.60363 |
| SMILES | CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C44H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,36-37,39-40,44H,6-16,18,21,23-35,38,41-43H2,1-5H3/b19-17-,22-20-,39-36-,40-37-/t44-/m1/s1 |
| InChIKey | AONWYGCJCICSCF-UVRXSTQASA-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) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(P-18:1(9Z)/P-18:1(11Z)) (CHEBI:170720) is a glycerophosphocholine (CHEBI:36313) |
| IUPAC Name |
|---|
| [(2R)-3-[(1Z,9Z)-octadeca-1,9-dienoxy]-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| 24767608 | ChemSpider |
| HMDB0011333 | HMDB |