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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:acrophiarin
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Accession:CHEBI:167054 term browser browse the term
Definition:A cyclic hexapeptide echinocandin antibiotic with a myristoyl side chain. It is produced by a specific strain of Penicillium arenicola and exhibits antimycotic activity.
Synonyms:exact_synonym: N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}tetradecanamide
 related_synonym: Formula=C49H78N8O17;   InChI=1S/C49H78N8O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-35(64)51-30-21-33(62)45(70)55-47(72)39-40(65)25(2)23-57(39)49(74)37(32(61)22-34(50)63)53-46(71)38(42(67)41(66)27-16-18-28(59)19-17-27)54-44(69)31-20-29(60)24-56(31)48(73)36(26(3)58)52-43(30)68/h16-19,25-26,29-33,36-42,45,58-62,65-67,70H,4-15,20-24H2,1-3H3,(H2,50,63)(H,51,64)(H,52,68)(H,53,71)(H,54,69)(H,55,72)/t25-,26+,29+,30-,31-,32+,33+,36-,37-,38-,39-,40-,41-,42-,45+/m0/s1;   InChIKey=QZRPBFSNQQUAAB-QZXUYJGCSA-N;   S31794/F-1;   SMILES=[H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@]([H])(C[C@@H](O)[C@@H](O)NC(=O)[C@@H]1[C@@H](O)[C@@H](C)CN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CC(N)=O)NC(=O)CCCCCCCCCCCCC)[C@@H](C)O;   antibiotic S31794/F-1
 xref: PMID:27494047;   PMID:32239586;   Patent:US4173629



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20059
    role 20009
      biological role 20008
        antimicrobial agent 17758
          antifungal agent 15844
            antibiotic antifungal agent 6007
              acrophiarin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19873
                          organic molecular entity 19873
                            organic group 18943
                              organic divalent group 18928
                                organodiyl group 18928
                                  carbonyl group 18877
                                    carbonyl compound 18877
                                      carboxylic acid 18565
                                        carboacyl group 17658
                                          univalent carboacyl group 17658
                                            carbamoyl group 17492
                                              carboxamide 17492
                                                peptide 9504
                                                  cyclic peptide 8816
                                                    homodetic cyclic peptide 8383
                                                      acrophiarin 0
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