Chem
J-GLOBAL ID：200907079159468360   Nikkaji number：J1.114.779H

Futalosine

フタロシン
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： C19H18N4O7
Molecular formula furigana： C19-H18-N4-O7
Molecular weight： 414.374
InChI： InChI=1S/C19H18N4O7/c24-11(9-2-1-3-10(6-9)19(28)29)4-5-12-14(25)15(26)18(30-12)23-8-22-13-16(23)20-7-21-17(13)27/h1-3,6-8,12,14-15,18,25-26H,4-5H2,(H,28,29)(H,20,21,27)/t12-,14-,15-,18-/m1/s1
InChI key： VEDWXCWBMDQNCV-SCFUHWHPSA-N
SMILES： O[C@@H]1[C@@H](CCC(=O)c2cccc(c2)C(=O)O)O[C@H]([C@@H]1O)n1cnc2c(O)ncnc12
Systematic name  (3)：
  • 3-[3-[[(2R)-3β,4β-ジヒドロキシ-5α-(6-ヒドロキシ-9H-プリン-9-イル)テトラヒドロフラン]-2α-イル]プロピオニル]安息香酸
  • 3-{3-[(2R,3S,4R,5R)-3,4-ジヒドロキシ-5-(6-ヒドロキシ-9H-プリン-9-イル)オキソラン-2-イル]プロパノイル}安息香酸
  • 3-{3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]propanoyl}benzoic acid
Other name (3)：
  • 3-[3-[[(2R)-3β,4β-Dihydroxy-5α-(6-hydroxy-9H-purine-9-yl)tetrahydrofuran]-2α-yl]propionyl]benzoic acid
  • フタロシン
  • Futalosine
KEGG COMPOUND： C16999
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