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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:aculeacin A
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Accession:CHEBI:2450 term browser browse the term
Definition:A lipopeptide that is isolated from Aspergillus aculeatus and exhibits antifungal activity.
Synonyms:related_synonym: Aculeacins;   Formula=C51H82N8O17;   InChI=1S/C51H82N8O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-32-23-35(64)47(72)57-49(74)41-42(67)27(2)25-59(41)51(76)39(34(63)24-36(52)65)55-48(73)40(44(69)43(68)29-18-20-30(61)21-19-29)56-46(71)33-22-31(62)26-58(33)50(75)38(28(3)60)54-45(32)70/h18-21,27-28,31-35,38-44,47,60-64,67-69,72H,4-17,22-26H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t27-,28+,31+,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1;   InChIKey=FBCLKBXYZRAXNA-PDIPHZEPSA-N;   SMILES=C1=CC(=CC=C1O)[C@@H]([C@H]([C@@H]2NC([C@H]3N(C([C@H]([C@@H](C)O)NC([C@@H](NC(CCCCCCCCCCCCCCC)=O)C[C@H]([C@H](NC([C@H]4N(C([C@@H](NC2=O)[C@@H](CC(=O)N)O)=O)C[C@@H]([C@@H]4O)C)=O)O)O)=O)=O)C[C@@H](C3)O)=O)O)O
 xref: CAS:58814-86-1;   KEGG:C01776;   KNApSAcK:C00016077;   MetaCyc:CPD-13365;   PMID:324959;   PMID:324960;   PMID:3325782;   PMID:7042670;   PMID:7042671;   PMID:7425782;   Reaxys:26317172


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Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      biological role 19861
        antimicrobial agent 18265
          aculeacin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19905
              atomic nucleus 19905
                atom 19891
                  main group element atom 19831
                    p-block element atom 19831
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            heteroorganic entity 19537
                              organochalcogen compound 19297
                                organooxygen compound 19201
                                  carbon oxoacid 18676
                                    carboxylic acid 18673
                                      carboacyl group 17723
                                        univalent carboacyl group 17723
                                          carbamoyl group 17550
                                            carboxamide 17550
                                              peptide 11437
                                                cyclic peptide 8918
                                                  heterodetic cyclic peptide 1721
                                                    aculeacin A 0
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