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CHEBI:217453 - Catacerebroside C

ChEBI IDCHEBI:217453
ChEBI NameCatacerebroside C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC48H93NO11
Net Charge0
Average Mass860.268
Monoisotopic Mass859.67486
SMILESCCCCCC/C=C\CCCCCCCCCCCCCC(O)C(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C48H93NO11/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(52)43(54)47(58)49-38(37-59-48-46(57)45(56)44(55)41(36-50)60-48)42(53)39(51)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h13,15,38-46,48,50-57H,3-12,14,16-37H2,1-2H3,(H,49,58)/b15-13-/t38-,39+,40?,41+,42-,43?,44+,45-,46+,48+/m0/s1
InChIKeyIUDRSGVTSFBWPF-FYYRCVILSA-N
Species of MetaboliteComponentSourceComments
Catathelasma ventricosum (ncbitaxon:181977) - PubMed (12880328)
ChEBI Ontology
Outgoing Relation(s)
Catacerebroside C (CHEBI:217453) is a glycosphingolipid (CHEBI:24402)
IUPAC Name 
(Z)-N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2,3-dihydroxytetracos-17-enamide
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