EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:170848 - PE(18:2(9Z,12Z)/22:2(13Z,16Z))
| Formula | C45H82NO8P |
| Net Charge | 0 |
| Average Mass | 796.124 |
| Monoisotopic Mass | 795.57781 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN |
| InChI | InChI=1S/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,43H,3-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-/t43-/m1/s1 |
| InChIKey | ODKCSLGCTVUPMX-JNUKZNIKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | 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) |
| PE(18:2(9Z,12Z)/22:2(13Z,16Z)) (CHEBI:170848) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| 24768570 | ChemSpider |
| LMGP02010677 | LIPID MAPS |
| HMDB0009107 | HMDB |