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ONTOLOGY REPORT - ANNOTATIONS
Term:21-deoxyconcanamycin A
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Accession:CHEBI:77921 term browser browse the term
Definition:A macrolide antibiotic that is a semisynthetic analogue of concanamycin A, possessing an 18-membered lactone ring and a 6-membered oxane ring in which the hydroxy group at position 23 is glycosylated by a 4-O-carbamoyl-2,6-dideoxy-beta-D-arabino-hexopyranosyl residue.
Synonyms:exact_synonym: (1R,5R)-1,5-anhydro-3-O-(4-O-carbamoyl-2,6-dideoxy-beta-D-arabino-hexopyranosyl)-2,4-dideoxy-5-{(2S,3S,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl}-2-methyl-1-[(1E)-prop-1-en-1-yl]-D-threo-pentitol
 related_synonym: Formula=C46H75NO13;   InChI=1S/C46H75NO13/c1-13-16-34-28(7)36(58-39-22-33(48)44(31(10)56-39)60-46(47)53)23-37(57-34)29(8)42(51)30(9)43-35(54-11)18-15-17-24(3)19-26(5)40(49)32(14-2)41(50)27(6)20-25(4)21-38(55-12)45(52)59-43/h13,15-18,20-21,26-37,39-44,48-51H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,38-21-/t26-,27-,28-,29-,30+,31-,32+,33-,34-,35+,36-,37-,39+,40+,41-,42+,43-,44-/m1/s1;   InChIKey=XCZVWWKOXCRUSR-WKCHOFOOSA-N;   SMILES=CC[C@H]1[C@@H](O)[C@H](C)C\\C(C)=C\\C=C\\[C@H](OC)[C@H](OC(=O)\\C(OC)=C\\C(\\C)=C\\[C@@H](C)[C@H]1O)[C@@H](C)[C@@H](O)[C@H](C)[C@H]1C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\\C=C\\C
 xref: PMID:11258892 "Europe PMC";   Patent:US5610178;   Reaxys:9112049 "Reaxys"

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19654
    role 19598
      biological role 19596
        antimicrobial agent 17143
          macrolide antibiotic 324
            21-deoxyconcanamycin A 0
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 ester 13946
                                        lactone 5857
                                          macrocyclic lactone 1517
                                            macrolide 1456
                                              macrolide antibiotic 324
                                                21-deoxyconcanamycin A 0
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