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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:erythromycin acistrate
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Accession:CHEBI:135882 term browser browse the term
Synonyms:related_synonym: 2'-Acetylerythromycin stearate;   Formula=C39H69NO14;   InChI=1S/C39H69NO14/c1-15-27-39(11,47)32(43)21(4)29(42)19(2)17-37(9,46)34(54-36-31(51-25(8)41)26(40(12)13)16-20(3)49-36)22(5)30(23(6)35(45)52-27)53-28-18-38(10,48-14)33(44)24(7)50-28/h19-24,26-28,30-34,36,43-44,46-47H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,26+,27-,28+,30+,31-,32-,33+,34-,36+,37-,38-,39-/m1/s1;   InChIKey=CVBHEIRZLPKMSH-SNWVVRALSA-N;   SMILES=O([C@]1([C@H](OC(C)=O)[C@@H](N(C)C)C[C@H](O1)C)[H])[C@@H]2[C@@H](C)[C@H](O[C@]3(C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])[C@@H](C)C(=O)O[C@H](CC)[C@@]([C@@H]([C@H](C([C@@H](C[C@@]2(C)O)C)=O)C)O)(C)O;   erasis;   oxacyclotetradecane, erythromycin deriv.
 xref: CAS:96128-89-1;   Drug_Central:1049


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    chemical entity 19800
      atom 19797
        nonmetal atom 19672
          oxygen atom 19355
            oxygen molecular entity 19355
              organooxygen compound 18805
                carbohydrates and carbohydrate derivatives 12184
                  carbohydrate derivative 11805
                    aminoglycoside 8418
                      erythromycin acistrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            heteroorganic entity 19176
                              organochalcogen compound 18884
                                organooxygen compound 18805
                                  carbohydrates and carbohydrate derivatives 12184
                                    carbohydrate 12184
                                      carbohydrate derivative 11805
                                        glycosyl compound 10847
                                          glycoside 9207
                                            aminoglycoside 8418
                                              erythromycin acistrate 0
paths to the root

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