EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C41H78NO8P |
| Net Charge | 0 |
| Average Mass | 744.048 |
| Monoisotopic Mass | 743.54651 |
| SMILES | [H][C@@](COC(=O)CCCCCCCCC/C=C\CCCCCC)(COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\CCCCCC |
| InChI | InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39H,3-12,17-38,42H2,1-2H3,(H,45,46)/b15-13-,16-14-/t39-/m1/s1 |
| InChIKey | FXSMMNUNFDTUMS-NCDRPEBGSA-N |
| Roles Classification |
|---|
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(18:1(11Z)/18:1(11Z)) (CHEBI:145846) is a PE(18:1_18:1) (CHEBI:141591) |
| Synonym | Source |
|---|---|
| PE 18:1(11Z)/18:1(11Z) | SUBMITTER |
| Manual Xrefs | Databases |
|---|---|
| HMDB0009025 | HMDB |