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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:3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose
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Accession:CHEBI:62127 term browser browse the term
Definition:A sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2E)-2-methylicos-2-enoic acid.
Synonyms:exact_synonym: 3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-alpha-D-glucopyranosyl 2-O-sulfo-alpha-D-glucopyranoside
 related_synonym: 3-O-[(2E)-2-methyleicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose;   Formula=C49H90O16S;   InChI=1S/C49H90O16S/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(3)47(56)63-44-42(54)39(36-51)61-49(64-48-45(65-66(57,58)59)43(55)41(53)38(35-50)60-48)46(44)62-40(52)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h33,38-39,41-46,48-51,53-55H,4-32,34-36H2,1-3H3,(H,57,58,59)/b37-33+/t38-,39-,41-,42-,43+,44+,45-,46-,48-,49-/m1/s1;   InChIKey=OFHDXPZDJZUGHW-QFMDKXFESA-N;   SMILES=CCCCCCCCCCCCCCCCC\\C=C(/C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC
 xref: PMID:19454700


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  CHEBI ontology 19831
    role 19807
      application 19650
        pharmaceutical 19491
          drug 19491
            protective agent 18205
              geroprotector 17379
                alpha,alpha-trehalose 38
                  3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose 0
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  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
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      oligosaccharide 618
                                        disaccharide 524
                                          glycosyl glycoside 145
                                            hexopyranosyl hexopyranoside 57
                                              trehalose 57
                                                alpha,alpha-trehalose 38
                                                  3-O-[(2E)-2-methylicos-2-enoyl]-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose 0
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