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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 5090
    role 5055
      biological role 5055
        epitope 35
          1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5090
    subatomic particle 5081
      composite particle 5081
        hadron 5081
          baryon 5081
            nucleon 5081
              atomic nucleus 5081
                atom 5081
                  main group element atom 5051
                    main group molecular entity 5050
                      s-block molecular entity 4980
                        hydrogen molecular entity 4974
                          hydrides 4578
                            inorganic hydride 408
                              pnictogen hydride 404
                                nitrogen hydride 404
                                  azane 395
                                    ammonia 395
                                      organic amino compound 288
                                        amino alcohol 3
                                          aminodiol 0
                                            2-aminooctadecene-1,3-diol 0
                                              2-aminooctadec-4-ene-1,3-diol 0
                                                sphing-4-enine 0
                                                  sphingosine 0
                                                    sphingosine-based sphingolipid 0
                                                      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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