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ONTOLOGY REPORT - ANNOTATIONS


Term:pneumocandin B0
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Accession:CHEBI:131609 term browser browse the term
Definition:An echinocandin initially isolated as a very minor bioactive fermentation product of Glarea lozoyensis (originally known as Zalerion arboricola). Subsequent random mutagenesis work and optimisation of the fermentation medium permitted the industrial production of pneumocandin B0, which is used as the starting point for the synthesis of the antifungal drug caspofungin.
Synonyms:exact_synonym: (10R,12S)-N-{(2R,6S,9S,11R,12R,14aS,15S,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]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
 related_synonym: Formula=C50H80N8O17;   InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25-,26+,27+,30+,31-,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,46+/m0/s1;   InChIKey=DQXPFAADCTZLNL-FXDJFZINSA-N;   L-688,786;   L-688786;   SMILES=[C@@]12(N(C[C@@H](C1)O)C([C@H]([C@@H](C)O)NC(=O)[C@](C[C@H]([C@@H](O)NC([C@@H]3[C@H](CCN3C([C@H]([C@@H](CC(N)=O)O)NC(=O)[C@H]([C@@H]([C@H](C4=CC=C(C=C4)O)O)O)NC2=O)=O)O)=O)O)(NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[H])=O)[H];   pneumocandin B(0);   pneumocardin B(0)
 xref: CAS:135575-42-7 "ChemIDplus";   PMID:24086376 "Europe PMC";   PMID:24270605 "Europe PMC";   PMID:25527531 "Europe PMC";   Reaxys:9316734 "Reaxys";   Wikipedia:Pneumocandin_Bo


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caspofungin term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Hnmt histamine N-methyltransferase JBrowse link 3 905,111 937,038 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19654
    role 19598
      biological role 19596
        antimicrobial agent 17143
          antifungal agent 14595
            pneumocandin B0 1
              caspofungin + 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic group 18331
                              organic divalent group 18321
                                organodiyl group 18321
                                  carbonyl group 18209
                                    carbonyl compound 18209
                                      carboxylic acid 17908
                                        carboacyl group 16930
                                          univalent carboacyl group 16930
                                            carbamoyl group 16610
                                              carboxamide 16610
                                                peptide 9292
                                                  cyclic peptide 8696
                                                    homodetic cyclic peptide 8306
                                                      pneumocandin B0 1
                                                        caspofungin + 1
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