Term: | 21-deoxyconcanamycin A |
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Accession: | CHEBI:77921
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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; Patent:US5610178; Reaxys:9112049 |
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