EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:191363 - PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
| Formula | C50H84NO8P |
| Net Charge | 0 |
| Average Mass | 858.195 |
| Monoisotopic Mass | 857.59346 |
| 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)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,31,33,37,39,48H,6-7,9,11-13,18-19,24,26,28-30,32,34-36,38,40-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,33-31-,39-37-/t48-/m1/s1 |
| InChIKey | YBAVZMWJCPETFA-QFTUWMPFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | hTERT-RPE1 cell (BTO:0004790) | MetaboLights (MTBLS682) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:191363) 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-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| LMGP01011865 | LIPID MAPS |
| HMDB0008354 | HMDB |
| 9030202 | ChemSpider |