EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C50H99NO9 |
| Net Charge | 0 |
| Average Mass | 858.340 |
| Monoisotopic Mass | 857.73198 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46+,47-,48-,49+,50-/m0/s1 |
| InChIKey | VQFKFAKEUMHBLV-HKCHYWKBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-O-(α-D-galactopyranosyl)-N-hexacosanoyl-D-xylo-phytosphingosine (CHEBI:73480) has functional parent D-xylo-phytosphingosine (CHEBI:73479) |
| 1-O-(α-D-galactopyranosyl)-N-hexacosanoyl-D-xylo-phytosphingosine (CHEBI:73480) is a sphingolipid (CHEBI:26739) |
| IUPAC Name |
|---|
| N-[(2S,3R,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide |
| Registry Numbers | Sources |
|---|---|
| Reaxys:18853802 | Reaxys |
| Citations |
|---|