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CHEBI:217346 - Catacerebroside B

ChEBI IDCHEBI:217346
ChEBI NameCatacerebroside B
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FormulaC48H93NO10
Net Charge0
Average Mass844.269
Monoisotopic Mass843.67995
SMILESCCCCCC/C=C\CCCCCCCCCCCCCC[C@@H](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/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h13,15,39-46,48,50-56H,3-12,14,16-38H2,1-2H3,(H,49,57)/b15-13-/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1
InChIKeyNUBWPJRCBFPJEK-HGOUHTFASA-N
Species of MetaboliteComponentSourceComments
Catathelasma ventricosum (ncbitaxon:181977) - PubMed (12880328)
ChEBI Ontology
Outgoing Relation(s)
Catacerebroside B (CHEBI:217346) is a glycosphingolipid (CHEBI:24402)
IUPAC Name 
(Z,2R)-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-hydroxytetracos-17-enamide
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