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ONTOLOGY REPORT - ANNOTATIONS


Term:erythromycin estolate
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Accession:CHEBI:4846 term browser browse the term
Definition:An erythromycin derivative that has formula C40H71NO14.C12H26O4S.
Synonyms:exact_synonym: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-2-O-propanoyl-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione dodecyl hydrogen sulfate
 related_synonym: Eriscel;   Eritroger;   Eromycin;   Erythromycin estorate;   Estomicina;   Formula=C40H71NO14.C12H26O4S;   Ilosone;   InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1;   InChIKey=AWMFUEJKWXESNL-JZBHMOKNSA-N;   Lauromicina;   Marcoeritrex;   Neo-erycinum;   PELS;   Roxomicina;   SMILES=CCCCCCCCCCCCOS(O)(=O)=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O;   Stellamicina;   erythromycin 2'-propionate dodecyl sulfate (salt);   erythromycin propionate, compound with dodecyl sulfate;   lauryl sulfate propionyl erythromycin ester;   monopropionylerythromycin laurylsulfate;   propionic acid, 2'-ester with erythromycin, dodecyl sulfate;   propionylerythromycin lauryl sulfate
 xref: Beilstein:3897327 "Beilstein";   CAS:3521-62-8 "ChemIDplus";   CAS:3521-62-8 "KEGG COMPOUND";   KEGG:C08031;   KEGG:D00851;   LIPID_MAPS_instance:LMPK04000015 "LIPID MAPS"
 xref_mesh: MESH:D004918
 xref: Patent:US3000874


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  CHEBI ontology 829
    role 806
      biological role 806
        inhibitor 470
          enzyme inhibitor 273
            erythromycin estolate 0
Path 2
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  CHEBI ontology 829
    subatomic particle 813
      composite particle 813
        hadron 813
          baryon 813
            nucleon 813
              atomic nucleus 813
                atom 813
                  main group element atom 801
                    p-block element atom 798
                      carbon group element atom 769
                        carbon atom 765
                          organic molecular entity 765
                            organic group 354
                              organic divalent group 352
                                organodiyl group 352
                                  carbonyl group 351
                                    carbonyl compound 351
                                      carboxylic ester 196
                                        lactone 138
                                          macrocyclic lactone 80
                                            macrolide 80
                                              erythronolide 1
                                                erythromycins 1
                                                  erythromycin 1
                                                    erythromycin A 1
                                                      erythromycin A 2'-propanoate 0
                                                        erythromycin estolate 0
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