EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:170601 - PE(P-18:1(9Z)/20:3(5Z,8Z,11Z))
| Formula | C43H78NO7P |
| Net Charge | 0 |
| Average Mass | 752.071 |
| Monoisotopic Mass | 751.55159 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN |
| InChI | InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,22,24,28,30,35,38,42H,3-16,21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,20-18-,24-22-,30-28-,38-35-/t42-/m1/s1 |
| InChIKey | RPUWJMQATPICRU-OBYIALEPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(P-18:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:170601) is a glycerophosphoethanolamine (CHEBI:36314) |
| IUPAC Name |
|---|
| [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| Manual Xrefs | Databases |
|---|---|
| 24769333 | ChemSpider |
| HMDB0011449 | HMDB |