Chem
J-GLOBAL ID：200907012754148150   Nikkaji number：J642.777D

Thuringiensin

ツリンギエンシン
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： C22H32N5O19P
Molecular formula furigana： C22-H32-N5-O19-P
Molecular weight： 701.488
InChI： InChI=1S/C22H32N5O19P/c23-17-7-18(25-3-24-17)27(4-26-7)19-10(31)8(29)6(43-19)2-42-14-5(1-28)44-22(11(32)9(14)30)45-16(21(37)38)12(33)15(13(34)20(35)36)46-47(39,40)41/h3-6,8-16,19,22,28-34H,1-2H2,(H,35,36)(H,37,38)(H2,23,24,25)(H2,39,40,41)/t5-,6-,8-,9-,10-,11-,12-,13+,14-,15+,16-,19-,22-/m1/s1
InChI key： OTLLEIBWKHEHGU-TUNUFRSWSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[C@@H]2[C@@H](CO)O[C@H](O[C@H]([C@H](O)[C@H](OP(=O)(O)O)[C@H](O)C(=O)O)C(=O)O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 2-O-[4-O-(5′-アデノシル)-α-D-グルコピラノシル]-4-O-ホスホノ-D-アラル酸
  • (2R,3S,4S,5S)-2-{[(2R,3R,4R,5S,6R)-5-{[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}-3,4-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,5-ジヒドロキシ-4-(ホスホノオキシ)ヘキサン二酸
  • (2R,3S,4S,5S)-2-{[(2R,3R,4R,5S,6R)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-4-(phosphonooxy)hexanedioic acid
Other name (2)：
  • ツリンギエンシン
  • Thuringiensin
CAS registry number： 23526-02-5
Application (2)：
bacterial toxin ,  saccharic acid
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