Chem
J-GLOBAL ID：200907070063850193   Nikkaji number：J678.306F

Yersiniabactin

イエルシニアバクチン
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： C21H27N3O4S3
Molecular formula furigana： C21-H27-N3-O4-S3
Molecular weight： 481.640
InChI： InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)
InChI key： JHYVWAMMAMCUIR-UHFFFAOYSA-N
SMILES： CC(C)(C(O)C1CSC(N1)C1CSC(=N1)c1ccccc1O)C1=NC(C)(CS1)C(=O)O
Systematic name  (3)：
  • 2-[1,1-ジメチル-2-ヒドロキシ-2-[2-[2-(2-ヒドロキシフェニル)-2-チアゾリン-4-イル]チアゾリジン-4-イル]エチル]-4-メチル-2-チアゾリン-4-カルボン酸
  • 2-(1-ヒドロキシ-1-{2-[2-(2-ヒドロキシフェニル)-4,5-ジヒドロ-1,3-チアゾール-4-イル]-1,3-チアゾリジン-4-イル}-2-メチルプロパン-2-イル)-4-メチル-4,5-ジヒドロ-1,3-チアゾール-4-カルボン酸
  • 2-(1-hydroxy-1-{2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Other name (4)：
  • イエルシニアバクチン
  • エルシニアバクチン
  • Yersiniabactin
  • 2-[1,1-Dimethyl-2-hydroxy-2-[2-[2-(2-hydroxyphenyl)-2-thiazolin-4-yl]thiazolidin-4-yl]ethyl]-4-methyl-2-thiazoline-4-carboxylic acid
KEGG COMPOUND： C12038
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