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CHEBI:169922 - GlcCer(d18:2(4E,8Z)/25:0(2OH[R]))
| Formula | C49H93NO9 |
| Net Charge | 0 |
| Average Mass | 840.281 |
| Monoisotopic Mass | 839.68503 |
| SMILES | CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C49H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(53)48(57)50-41(40-58-49-47(56)46(55)45(54)44(39-51)59-49)42(52)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,35,37,41-47,49,51-56H,3-26,28,30-34,36,38-40H2,1-2H3,(H,50,57)/b29-27-,37-35+/t41-,42+,43+,44+,45+,46?,47?,49+/m0/s1 |
| InChIKey | WAMFEJVCOLBTNW-GBIHEQOYSA-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) |
| GlcCer(d18:2(4E,8Z)/25:0(2OH[R])) (CHEBI:169922) is a glycosylceramide (CHEBI:62941) |
| IUPAC Name |
|---|
| (2R)-2-hydroxy-N-[(2S,3R,4E,8Z)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]pentacosanamide |
| Manual Xrefs | Databases |
|---|---|
| LMSP05010057 | LIPID MAPS |