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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-(alpha-D-galactopyranosyl)-N-\{6-[4-(trifluoromethyl)phenyl]hexanoyl\}phytosphingosine
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Accession:CHEBI:139176 term browser browse the term
Definition:A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-(4-trifluoromethyl)hexanoyl group attached to the nitrogen.
Synonyms:exact_synonym: N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-6-[4-(trifluoromethyl)phenyl]hexanamide
 related_synonym: Formula=C37H62F3NO9;   InChI=1S/C37H62F3NO9/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-29(43)32(45)28(25-49-36-35(48)34(47)33(46)30(24-42)50-36)41-31(44)19-16-13-14-17-26-20-22-27(23-21-26)37(38,39)40/h20-23,28-30,32-36,42-43,45-48H,2-19,24-25H2,1H3,(H,41,44)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1;   InChIKey=VPGXAQDNHRIDNI-QNAIHFNASA-N;   N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-[4-(trifluoromethyl)phenyl]hexanamide;   SMILES=[C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)C(F)(F)F)=O
 xref: PMID:20616071;   Patent:CA2683681;   Reaxys:18641309


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          metabolite 19502
            fundamental metabolite 14431
              galactose 207
                D-galactose 207
                  D-galactopyranose 207
                    alpha-D-galactose 118
                      1-O-(alpha-D-galactopyranosyl)-N-\{6-[4-(trifluoromethyl)phenyl]hexanoyl\}phytosphingosine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbon oxoacid 18613
                                    carboxylic acid 18610
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17549
                                            carboxamide 17549
                                              ceramide 127
                                                cerebroside 25
                                                  galactosylceramide 25
                                                    beta-galactosylceramide 15
                                                      N-acyl-beta-D-galactosylphytosphingosine 15
                                                        phytosphingosine 15
                                                          N-acylphytosphingosine 2
                                                            glycophytoceramide 2
                                                              1-O-(alpha-D-galactopyranosyl)-N-\{6-[4-(trifluoromethyl)phenyl]hexanoyl\}phytosphingosine 0
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