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CHEBI:132461 - β-D-glucosyl-(1↔1')-N-docosanoyl-(4E,14Z)-sphingadienine
| Formula | C46H87NO8 |
| Net Charge | 0 |
| Average Mass | 782.201 |
| Monoisotopic Mass | 781.64317 |
| SMILES | CCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C46H87NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10,33,35,39-41,43-46,48-49,51-53H,3-7,9,11-32,34,36-38H2,1-2H3,(H,47,50)/b10-8-,35-33+/t39-,40+,41+,43+,44-,45+,46+/m0/s1 |
| InChIKey | BZVOAOVDSULRAB-MJSBZNPBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Calanus helgolandicus (ncbitaxon:114068) | |||
| - | MetaboLights (MTBLS91) | ||
| - | PubMed (26364855) |
| Roles Classification |
|---|
| Biological Role: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-glucosyl-(1↔1')-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) has functional parent docosanoic acid (CHEBI:28941) |
| β-D-glucosyl-(1↔1')-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) has functional parent sphinga-4E,14Z-dienine (CHEBI:73889) |
| β-D-glucosyl-(1↔1')-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) has role marine metabolite (CHEBI:76507) |
| β-D-glucosyl-(1↔1')-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) is a β-D-glucosylceramide (CHEBI:83264) |
| IUPAC Name |
|---|
| N-[(2S,3R,4E,14Z)-1-(β-D-glucopyranosyloxy)-3-hydroxyoctadeca-4,14-dien-2-yl]docosanamide |
| Synonyms | Source |
|---|---|
| N-(docosanoyl)-1-β-galactosyl-4E,14Z-sphingadienine | LIPID MAPS |
| GlcCer(d18:2/22:0) | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| LMSP0501AA37 | LIPID MAPS |
| Citations |
|---|