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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:Anteiso-C17 bacillomycin D
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Accession:CHEBI:204523 term browser browse the term
Synonyms:exact_synonym: 3-[(3R,6R,9S,13R,16S,19R,22S,25S)-3,9-bis(2-amino-2-oxoethyl)-16-(1-hydroxyethyl)-19-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-13-(11-methyltridecyl)-2,5,8,11,15,18,21,24-octaoxo-1,4,7,10,14,17,20,23-octazabicyclo[23.3.0]octacosan-22-yl]propanoic acid
 related_synonym: Formula=C51H80N10O15;   InChI=1S/C51H80N10O15/c1-4-29(2)14-11-9-7-5-6-8-10-12-15-32-25-42(67)55-36(26-40(52)65)47(72)57-35(24-31-17-19-33(64)20-18-31)46(71)58-37(27-41(53)66)51(76)61-23-13-16-39(61)49(74)56-34(21-22-43(68)69)45(70)59-38(28-62)48(73)60-44(30(3)63)50(75)54-32/h17-20,29-30,32,34-39,44,62-64H,4-16,21-28H2,1-3H3,(H2,52,65)(H2,53,66)(H,54,75)(H,55,67)(H,56,74)(H,57,72)(H,58,71)(H,59,70)(H,60,73)(H,68,69)/t29?,30?,32-,34+,35-,36+,37-,38-,39+,44+/m1/s1;   InChIKey=ZUUBJNJPFAIYLD-QIPBMDSUSA-N;   SMILES=O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@@H]1CC(=O)N)=O)CC3=CC=C(O)C=C3)=O)CC(=O)N)=O)CCCCCCCCCCC(CC)C)C(O)C)CO)CCC(=O)O)CCC2
 xref: Chemspider:78437152

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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      group 2
        organic group 0
          amino-acid residue 0
            peptide 0
              Anteiso-C17 bacillomycin D 0
Path 2
Term Annotations click to browse term
  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
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              peptide 0
                                                Anteiso-C17 bacillomycin D 0
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