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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:Lajollamycin D
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Accession:CHEBI:199912 term browser browse the term
Synonyms:exact_synonym: (3R,4Z,6E,8E,10E)-3-hydroxy-N-[(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenamide
 related_synonym: Formula=C36H53N3O10;   InChI=1S/C36H53N3O10/c1-22(26(5)39(46)47)17-13-11-14-18-23(2)30(41)34(7,8)32(43)37-20-16-12-15-19-28(40)24(3)21-29(48-10)36(45)25(4)31(42)38(9)35(36)27(6)49-33(35)44/h11-19,24-25,27-30,40-41,45H,20-21H2,1-10H3,(H,37,43)/b14-11+,16-12+,17-13+,19-15+,23-18-,26-22+/t24-,25+,27-,28+,29+,30-,35-,36-/m1/s1;   InChIKey=NSTDWVVCICGULY-ZALZRNDGSA-N;   SMILES=O=[N+]([O-])/C(=C(/C=C/C=C/C=C(\\[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)/C)\\C)/C
 xref: Chemspider:34981628


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  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          nitrogen atom 2
            nitrogen molecular entity 2
              organonitrogen compound 2
                Lajollamycin D 0
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  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      s-block molecular entity 1
                        hydrogen molecular entity 1
                          hydrides 1
                            inorganic hydride 1
                              pnictogen hydride 1
                                nitrogen hydride 1
                                  azane 1
                                    ammonia 1
                                      organic amino compound 1
                                        amino acid 0
                                          alpha-amino acid 0
                                            Lajollamycin D 0
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