EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C42H85NO4 |
| Net Charge | 0 |
| Average Mass | 668.145 |
| Monoisotopic Mass | 667.64786 |
| SMILES | CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCO |
| InChI | InChI=1S/C42H85NO4/c1-2-3-4-5-6-7-8-18-21-24-27-30-33-36-41(46)40(39-45)43-42(47)37-34-31-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-29-32-35-38-44/h40-41,44-46H,2-39H2,1H3,(H,43,47)/t40-,41+/m0/s1 |
| InChIKey | ZQGNZSWBCQGWAO-WVILEFPPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2224) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cer(d18:0/h24:0) (CHEBI:188236) is a ceramide (CHEBI:17761) |
| IUPAC Name |
|---|
| N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-24-hydroxytetracosanamide |
| Manual Xrefs | Databases |
|---|---|
| 23106994 | ChemSpider |
| LMSP02020017 | LIPID MAPS |