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CHEBI:132454 - β-D-glucosyl-(1↔1')-N-(docosanoyl)hexadecasphingosine
| Formula | C44H85NO8 |
| Net Charge | 0 |
| Average Mass | 756.163 |
| Monoisotopic Mass | 755.62752 |
| SMILES | CCCCCCCCCCC/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/C44H85NO8/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31+/t37-,38+,39+,41+,42-,43+,44+/m0/s1 |
| InChIKey | IRYUYISTIPWPQG-IYFIADHGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Calanus helgolandicus (ncbitaxon:114068) | |||
| - | PubMed (26364855) | ||
| - | MetaboLights (MTBLS91) |
| 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)hexadecasphingosine (CHEBI:132454) has functional parent docosanoic acid (CHEBI:28941) |
| β-D-glucosyl-(1↔1')-N-(docosanoyl)hexadecasphingosine (CHEBI:132454) has role marine metabolite (CHEBI:76507) |
| β-D-glucosyl-(1↔1')-N-(docosanoyl)hexadecasphingosine (CHEBI:132454) is a β-D-glucosyl-(1↔1')-N-acylhexadecasphingosine (CHEBI:83186) |
| IUPAC Name |
|---|
| N-[(2S,3R,4E)-1-(β-D-glucopyranosyloxy)-3-hydroxyhexadec-4-en-2-yl]docosanamide |
| Synonyms | Source |
|---|---|
| N-(docosanoyl)-1-β-glucosyl-hexadecasphing-4-enine | ChEBI |
| GlcCer(d16:1/22:0) | LIPID MAPS |
| β-D-glucosyl-(1↔1')-N-(docosanoyl)hexadecasphing-4-enine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMSP0501AA30 | LIPID MAPS |
| Citations |
|---|