EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H50NO7P |
| Net Charge | 0 |
| Average Mass | 531.671 |
| Monoisotopic Mass | 531.33249 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN |
| InChI | InChI=1S/C27H50NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h6-7,9-10,12-13,26,29H,2-5,8,11,14-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12- |
| InChIKey | OYVOJIUVAINTML-QNEBEIHSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | peripheral blood mononuclear cell (BTO:0001025) | MetaboLights (MTBLS6661) |
| Roles Classification |
|---|
| Biological Role: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LPE 22:3 (CHEBI:194267) is a 1-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:29017) |
| IUPAC Name |
|---|
| [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate |