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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:HS44
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Accession:CHEBI:72586 term browser browse the term
Definition:An N-acyl-1-deoxy-4-hydroxysphinganine in which the acyl group on nitrogen is hexacosanoyl and in which C-1 is substituted by a cyclitolic [(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl] amino group. It is a synthetic analogue of the CD1d-presented agonist alpha-galactosylceramide.
Synonyms:exact_synonym: N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide
 related_synonym: Formula=C50H100N2O7;   HS44 aminocyclitol ceramide;   InChI=1S/C50H100N2O7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(55)52-43(41-51-42-40-45(54)49(58)50(59)48(42)57)47(56)44(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-45,47-51,53-54,56-59H,3-41H2,1-2H3,(H,52,55)/t42-,43-,44+,45-,47-,48-,49+,50+/m0/s1;   InChIKey=XXEARWSQDQWKKF-KVWQTNEHSA-N;   SMILES=CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
 xref: PDBeChem:H4S;   PMID:22301545


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  CHEBI ontology 22306
    role 22291
      biological role 22290
        epitope 7185
          HS44 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22306
    subatomic particle 22301
      composite particle 22301
        hadron 22301
          baryon 22301
            nucleon 22301
              atomic nucleus 22301
                atom 22301
                  main group element atom 22181
                    p-block element atom 22181
                      carbon group element atom 21983
                        carbon atom 21923
                          organic molecular entity 21923
                            heteroorganic entity 21563
                              organochalcogen compound 21047
                                organooxygen compound 20895
                                  carbon oxoacid 19643
                                    carboxylic acid 19639
                                      carboacyl group 18307
                                        univalent carboacyl group 18307
                                          carbamoyl group 18128
                                            carboxamide 18128
                                              ceramide 127
                                                phytoceramides 2
                                                  N-acyl-1-deoxy-4-hydroxysphinganine 0
                                                    HS44 0
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