Type : Macrolide, Polyketide, Natural, Antibiotic
Chemical_Nomenclature : [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
Canonical SMILES : CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](\/C=C\/C=C\/C[C@H](OC(=O)C[C@H]([C@@H]3OC)O)C)O)C)CC=O)C)C
InChI : InChI=1S\/C39H65NO14\/c1-10-14-29(44)52-37-25(5)50-31(21-39(37,6)47)53-34-24(4)51-38(33(46)32(34)40(7)8)54-35-26(17-18-41)19-22(2)27(42)16-13-11-12-15-23(3)49-30(45)20-28(43)36(35)48-9\/h11-13,16,18,22-28,31-38,42-43,46-47H,10,14-15,17,19-21H2,1-9H3\/b12-11+,16-13+\/t22-,23-,24-,25+,26+,27+,28-,31+,32-,33-,34-,35+,36+,37+,38+,39-\/m1\/s1
InChIKey : JZVYPSLDMXOITF-MJRCUCNNSA-N
Other name(s) : Kitasamycin A5 || Turimycin H4 || Leukomycin A5 || BRN 1678481 || Leucomycin V, 4(sup B)-butanoate || 4Q5L181XZQ || CHEBI:34815 || CHEMBL3251853
MW : 771.9
Formula : C39H65NO14
CAS_number : 18361-45-0
PubChem : 5282324
UniChem : JZVYPSLDMXOITF-MJRCUCNNSA-N
Structures : No structure
Families : Aclacinomycin-methylesterase_RdmC
Title : The global distribution of the macrolide esterase EstX from the alpha\/beta hydrolase superfamily - Lin_2024_Commun.Biol_7_781 |
Author(s) : Lin J , Lv H , Wang T , Tao H , Zhong Y , Zhou Y , Tang Y , Xie F , Zhuang G , Xu C , Chu Y , Wang X , Yang Y , Song T |
Ref : Commun Biol , 7 :781 , 2024 |
Abstract : |
PubMedSearch : Lin_2024_Commun.Biol_7_781 |
PubMedID: 38944651 |
Gene_locus related to this paper: ecoli-estX |