Chem
J-GLOBAL ID：200907064796845420   Nikkaji number：J9.238J

Polyoxin D

ポリオキシンD
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： C17H23N5O14
Molecular formula furigana： C17-H23-N5-O14
Molecular weight： 521.392
InChI： InChI=1S/C17H23N5O14/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34)/t4-,5-,6-,7+,8-,9+,10+,13+/m0/s1
InChI key： JPFWJDMDPLEUBD-ITJAGOAWSA-N
SMILES： N[C@@H]([C@H](O)[C@@H](O)COC(=O)N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(=O)O)c(=O)[nH]c1=O)C(=O)O
Systematic name  (3)：
  • 1-[5-[[2-アミノ-5-O-(アミノカルボニル)-2-デオキシ-L-キシロノイル]アミノ]-5-デオキシ-β-D-アロフラヌロノシル]-1,2,3,4-テトラヒドロ-2,4-ジオキソ-5-ピリミジンカルボン酸
  • 1-[(2R,3R,4S,5R)-5-[(S)-[(2S,3S,4S)-2-アミノ-5-(カルバモイルオキシ)-3,4-ジヒドロキシペンタンアミド](カルボキシ)メチル]-3,4-ジヒドロキシオキソラン-2-イル]-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-カルボン酸
  • 1-[(2R,3R,4S,5R)-5-[(S)-[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanamido](carboxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
Other name (4)：
  • ポリオキシンD
  • Polyoxin D
  • 1-[5-[[2-Amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-5-deoxy-β-D-allofuranulonosyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyridinecarboxylic acid
  • 1-[5-[[2-Amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-5-deoxy-β-D-allofuranuronosyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid
CAS registry number： 22976-86-9
Regulation number (1)：
  • 8-(2)-685
Application (2)：
antibiotics ,  agricultural fungicide
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