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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-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine
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Accession:CHEBI:45644 term browser browse the term
Definition:A N-acyl-beta-D-galactosylsphingosine having a sulfo group at the 3-position on the galactose ring and stearoyl as the N-acyl group.
Synonyms:exact_synonym: N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}octadecanamide
 related_synonym: C18:0-sulfatide;   Formula=C42H81NO11S;   InChI=1S/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40+,41-,42+/m0/s1;   InChIKey=GQQZXRPXBDJABR-BDZNYNMQSA-N;   SMILES=C(=C/CCCCCCCCCCCCC)\\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(O)(=O)=O)O
 xref: Beilstein:1416971;   PDB:1ONQ;   PMID:12833155;   PMID:20100930
 cyclic_relationship: is_conjugate_acid_of CHEBI:132301


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        epitope 7028
          1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine 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
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            inorganic hydride 18091
                              pnictogen hydride 18080
                                nitrogen hydride 17987
                                  azane 17796
                                    ammonia 17795
                                      organic amino compound 17795
                                        amino alcohol 1072
                                          aminodiol 189
                                            2-aminooctadecene-1,3-diol 139
                                              2-aminooctadec-4-ene-1,3-diol 139
                                                sphing-4-enine 139
                                                  sphingosine 139
                                                    sphingosine-based sphingolipid 93
                                                      N-acyl-D-galactosylsphingosine 0
                                                        N-acyl-beta-D-galactosylsphingosine 0
                                                          1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine 0
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