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CHEBI:220695 - Catacerebroside A

ChEBI IDCHEBI:220695
ChEBI NameCatacerebroside A
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FormulaC49H91NO9
Net Charge0
Average Mass838.265
Monoisotopic Mass837.66938
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=C/CC/C=C(\C)CCCCCCCCC
InChIInChI=1S/C49H91NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-32-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-29-31-35-40(3)34-30-27-25-11-9-7-5-2/h13-14,33,35-36,41-47,49,51-56H,4-12,15-32,34,37-39H2,1-3H3,(H,50,57)/b14-13-,36-33+,40-35+/t41-,42+,43+,44+,45+,46-,47+,49+/m0/s1
InChIKeyVEPQVIJEMBDTHV-ZOJKKKNDSA-N
Species of MetaboliteComponentSourceComments
Catathelasma ventricosum (ncbitaxon:181977) - PubMed (12880328)
ChEBI Ontology
Outgoing Relation(s)
Catacerebroside A (CHEBI:220695) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
(Z,2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]tetracos-17-enamide
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9106117ChemSpider