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CHEBI:228781 - SHexCer 40:0;3O
| Formula | C46H91NO12S |
| Net Charge | 0 |
| Average Mass | 882.296 |
| Monoisotopic Mass | 881.62620 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)CCCCC |
| InChI | InChI=1S/C46H91NO12S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-40(50)45(53)47-38(39(49)34-32-6-4-2)37-57-46-43(52)44(59-60(54,55)56)42(51)41(36-48)58-46/h38-44,46,48-52H,3-37H2,1-2H3,(H,47,53)(H,54,55,56) |
| InChIKey | WFPHDNCGLVLADV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | MetaboLights (MTBLS8662) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| SHexCer 40:0;3O (CHEBI:228781) is a O-acyl carbohydrate (CHEBI:52782) |
| IUPAC Name |
|---|
| [3,5-dihydroxy-2-[3-hydroxy-2-(2-hydroxydotriacontanoylamino)octoxy]-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate |