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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:Cereulide
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Accession:CHEBI:199078 term browser browse the term
Synonyms:exact_synonym: (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,15,27-trimethyl-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
 related_synonym: Formula=C57H96N6O18;   InChI=1S/C57H96N6O18/c1-25(2)22-37-46(64)58-34(19)52(70)79-44(32(15)16)50(68)62-41(29(9)10)56(74)77-39(24-27(5)6)48(66)60-36(21)54(72)81-45(33(17)18)51(69)63-42(30(11)12)57(75)78-38(23-26(3)4)47(65)59-35(20)53(71)80-43(31(13)14)49(67)61-40(28(7)8)55(73)76-37/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t34-,35-,36+,37-,38-,39-,40-,41+,42+,43+,44+,45+/m1/s1;   InChIKey=JWWAHGUHYLWQCQ-SEYKDLDKSA-N;   SMILES=O=C1O[C@@H](C(=O)N[C@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(N[C@@H](C(O[C@@H](C(N[C@@H](C(O[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)C)=O)CC(C)C)=O)C(C)C)=O)C(C)C)C)CC(C)C)C(C)C)C(C)C)C)CC(C)C
 xref: Chemspider:8232646
 xref_mesh: MESH:C089294



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19860
    chemical entity 19858
      group 19816
        organic group 18965
          amino-acid residue 11127
            peptide 11127
              depsipeptide 4571
                cyclodepsipeptide 4559
                  Cereulide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      carbon group element atom 19745
                        carbon atom 19741
                          organic molecular entity 19741
                            heteroorganic entity 19494
                              organochalcogen compound 19257
                                organooxygen compound 19173
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      carboacyl group 17705
                                        univalent carboacyl group 17705
                                          carbamoyl group 17556
                                            carboxamide 17556
                                              peptide 11127
                                                depsipeptide 4571
                                                  cyclodepsipeptide 4559
                                                    Cereulide 0
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