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CHEBI:169878 - (3'-sulfo)Galbeta-Cer(d18:1/18:0(2OH))
| Formula | C42H81NO12S |
| Net Charge | 0 |
| Average Mass | 824.172 |
| Monoisotopic Mass | 823.54795 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(=O)O)C1O)NC(=O)C(O)CCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C42H81NO12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(49)43-34(35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-53-42-39(48)40(55-56(50,51)52)38(47)37(32-44)54-42/h28,30,34-40,42,44-48H,3-27,29,31-33H2,1-2H3,(H,43,49)(H,50,51,52)/b30-28+/t34-,35+,36?,37+,38-,39?,40?,42+/m0/s1 |
| InChIKey | QAXLTFVHNINRAJ-MDNLEJKJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3'-sulfo)Galbeta-Cer(d18:1/18:0(2OH)) (CHEBI:169878) is a sulfoglycosphingolipid (CHEBI:36477) |
| IUPAC Name |
|---|
| [(2R,5S,6R)-3,5-dihydroxy-2-[(E,2S,3R)-3-hydroxy-2-(2-hydroxyoctadecanoylamino)octadec-4-enoxy]-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate |
| Manual Xrefs | Databases |
|---|---|
| 24823250 | ChemSpider |
| LMSP06020004 | LIPID MAPS |