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ONTOLOGY REPORT - ANNOTATIONS


Term:N-octanoylisoglobotriaosyl ceramide
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Accession:CHEBI:59528 term browser browse the term
Definition:The N-octanoyl derivative of isoglobotriaosyl ceramide.
Synonyms:exact_synonym: N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octanamide
 related_synonym: Formula=C44H81NO18;   ISOGLOBOTRIHEXOSYLCERAMIDE;   InChI=1S/C44H81NO18/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-28(49)27(45-32(50)22-20-17-8-6-4-2)26-58-42-38(56)36(54)40(31(25-48)61-42)62-44-39(57)41(34(52)30(24-47)60-44)63-43-37(55)35(53)33(51)29(23-46)59-43/h19,21,27-31,33-44,46-49,51-57H,3-18,20,22-26H2,1-2H3,(H,45,50)/b21-19+/t27-,28+,29+,30+,31+,33-,34-,35-,36+,37+,38+,39+,40+,41-,42+,43+,44-/m0/s1;   InChIKey=RWHPBLFPAUXKDB-FSBZVHFBSA-N;   SMILES=CCCCCCCCCCCCC\\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)CCCCCCC
 xref: PDB:2Q7Y;   PDBeChem:IGC;   PMID:18295796 "Europe PMC"


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Term Annotations click to browse term
  CHEBI ontology 20971
    role 20952
      biological role 20950
        epitope 6940
          N-octanoylisoglobotriaosyl ceramide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20971
    subatomic particle 20965
      composite particle 20965
        hadron 20965
          baryon 20965
            nucleon 20965
              atomic nucleus 20965
                atom 20965
                  main group element atom 20803
                    p-block element atom 20803
                      carbon group element atom 20543
                        carbon atom 20519
                          organic molecular entity 20519
                            organic group 19168
                              organic divalent group 19158
                                organodiyl group 19158
                                  carbonyl group 19130
                                    carbonyl compound 19130
                                      carboxylic acid 18806
                                        carboacyl group 17435
                                          univalent carboacyl group 17435
                                            carbamoyl group 17133
                                              carboxamide 17133
                                                ceramide 97
                                                  oligoglycosylceramide 3
                                                    glycotriaosylceramide 3
                                                      alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer 0
                                                        alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer 0
                                                          N-octanoylisoglobotriaosyl ceramide 0
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