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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:1-O-(4-O-allyl-alpha-D-galactosyl)-N-hexacosanoylphytosphingosine
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Accession:CHEBI:145462 term browser browse the term
Definition:A glycophytoceramide having a 4-O-allyl-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4'-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens.
Synonyms:related_synonym: (2S,3S,4R)-1-(4-O-allyl-alpha-D-galactopyranosyloxy)-2-hexacosanoylaminooctadecane-3,4-diol;   Formula=C53H103NO9;   InChI=1S/C53H103NO9/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(57)54-45(44-62-53-51(60)50(59)52(61-42-6-3)47(43-55)63-53)49(58)46(56)40-38-36-34-32-30-18-16-14-12-10-8-5-2/h6,45-47,49-53,55-56,58-60H,3-5,7-44H2,1-2H3,(H,54,57)/t45-,46+,47+,49-,50+,51+,52-,53-/m0/s1;   InChIKey=ALFONRPZUQLTFA-BDHLTHOMSA-N;   N-[(2S,3S,4R)-1-(4-O-allyl-alpha-D-galactosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide;   N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(prop-2-en-1-yl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide;   N-{(2S,3S,4R)-1-[(4-O-allyl-alpha-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide;   SMILES=O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=C)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O
 xref: PDBeChem:JTG;   PMID:30556652


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  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            fundamental metabolite 14418
              galactose 207
                D-galactose 207
                  D-galactopyranose 207
                    alpha-D-galactose 118
                      1-O-(4-O-allyl-alpha-D-galactosyl)-N-hexacosanoylphytosphingosine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      carboacyl group 17675
                                        univalent carboacyl group 17675
                                          carbamoyl group 17524
                                            carboxamide 17547
                                              ceramide 127
                                                cerebroside 25
                                                  galactosylceramide 25
                                                    beta-galactosylceramide 15
                                                      N-acyl-beta-D-galactosylphytosphingosine 15
                                                        phytosphingosine 15
                                                          N-acylphytosphingosine 2
                                                            glycophytoceramide 2
                                                              1-O-(4-O-allyl-alpha-D-galactosyl)-N-hexacosanoylphytosphingosine 0
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