Chem
J-GLOBAL ID：200907056124860518   Nikkaji number：J328J

Erythromycin E

エリスロマイシンE
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C37H65NO14
Molecular formula furigana： C37-H65-N-O14
Molecular weight： 747.920
InChI： InChI=1S/C37H65NO14/c1-18-16-34(7,44)31(50-33-27(40)24(38(10)11)15-19(2)48-33)21(4)28-22(5)32(43)49-25(36(9,45)29(41)20(3)26(18)39)13-14-47-37(52-28)17-35(8,46-12)30(42)23(6)51-37/h18-25,27-31,33,40-42,44-45H,13-17H2,1-12H3/t18-,19-,20+,21+,22-,23+,24+,25-,27-,28+,29-,30+,31-,33+,34-,35-,36-,37-/m1/s1
InChI key： IAWZXXSEFZKVBG-FXQUIXQDSA-N
SMILES： CO[C@]1(C)C[C@]2(O[C@@H](C)[C@@H]1O)OCC[C@H]1OC(=O)[C@H](C)[C@@H](O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Systematic name  (3)：
  • 1′,15-オキシエリスロマイシン
  • (1R,2S,3R,4R,4'R,5'S,6R,6'S,8R,9R,10S,11S,13S,19R)-9-{[(2S,3R,4S,6R)-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-2,3,5',8-テトラヒドロキシ-4'-メトキシ-2,4,4',6,6',8,10,19-オクタメチル-12,14,17-トリオキサスピロ[ビシクロ[9.5.3]ノナデカン-13,2'-オキサン]-5,18-ジオン
  • (1R,2S,3R,4R,4'R,5'S,6R,6'S,8R,9R,10S,11S,13S,19R)-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-2,3,5',8-tetrahydroxy-4'-methoxy-2,4,4',6,6',8,10,19-octamethyl-12,14,17-trioxaspiro[bicyclo[9.5.3]nonadecane-13,2'-oxane]-5,18-dione
Other name (3)：
  • エリスロマイシンE
  • 1′,15-Oxyerythromycin
  • Erythromycin E
CAS registry number： 41451-91-6
KEGG COMPOUND： C06634
Application (1)：
macrolide antibiotics
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