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CHEBI:52616 - N-tetracosanoylisoglobotriaosyl ceramide

ChEBI IDCHEBI:52616
ChEBI NameN-tetracosanoylisoglobotriaosyl ceramide
Stars
ASCII NameN-tetracosanoylisoglobotriaosyl ceramide
DefinitionThe N-tetracosanoyl derivative of isoglobotriaosyl ceramide.
Last Modified20 May 2010
SubmitterSteve
DownloadsMolfile
FormulaC60H113NO18
Net Charge0
Average Mass1136.553
Monoisotopic Mass1135.79577
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H113NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-58-54(72)52(70)56(47(41-64)77-58)78-60-55(73)57(50(68)46(40-63)76-60)79-59-53(71)51(69)49(67)45(39-62)75-59/h35,37,43-47,49-60,62-65,67-73H,3-34,36,38-42H2,1-2H3,(H,61,66)/b37-35+/t43-,44+,45+,46+,47+,49-,50-,51-,52+,53+,54+,55+,56+,57-,58+,59+,60-/m0/s1
InChIKeyXSSHLPPXRYMVLX-GFMXLMTISA-N
ChEBI Ontology
Outgoing Relation(s)
N-tetracosanoylisoglobotriaosyl ceramide (CHEBI:52616) is a α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-Cer (CHEBI:52570)
IUPAC Name 
N-[(2S,3R,4E)-1-{[α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
Registry NumbersSources
Beilstein:5714706Beilstein