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CHEBI:176327 - 3-O-Sulfogalactosylceramide (d18:1/22:0)

Default Structure
ChEBI IDCHEBI:176327
ChEBI Name3-O-Sulfogalactosylceramide (d18:1/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H89NO11S
Net Charge0
Average Mass864.281
Monoisotopic Mass863.61563
SMILESCCCCCCCCCCCCC/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)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H89NO11S/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(40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-56-46-44(52)45(58-59(53,54)55)43(51)41(37-48)57-46/h33,35,39-41,43-46,48-49,51-52H,3-32,34,36-38H2,1-2H3,(H,47,50)(H,53,54,55)/b35-33+/t39-,40+,41+,43-,44?,45?,46+/m0/s1
InChIKeyUAKYQMHTPLVMJD-GJOJTGTQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-Sulfogalactosylceramide (d18:1/22:0) (CHEBI:176327) is a sulfoglycosphingolipid (CHEBI:36477)
IUPAC Name 
[(2R,5S,6R)-2-[(E,2S,3R)-2-(docosanoylamino)-3-hydroxyoctadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate
Manual XrefsDatabases
24823252ChemSpider
C06125KEGG COMPOUND
GALACTOSYLCERAMIDE-SULFATEMetaCyc
HMDB0012316HMDB
LMSP06020009LIPID MAPS