Chem
J-GLOBAL ID：200907060367817154   Nikkaji number：J201.798I

Urobilinogen

ウロビリノーゲン
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： C33H44N4O6
Molecular formula furigana： C33-H44-N4-O6
Molecular weight： 592.737
InChI： InChI=1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t26-,27-/m1/s1
InChI key： OBHRVMZSZIDDEK-KAYWLYCHSA-N
SMILES： CCC1=C(C)C(=O)N[C@@H]1Cc1[nH]c(Cc2[nH]c(C[C@H]3NC(=O)C(=C3C)CC)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C
Systematic name  (3)：
  • (4R,16R)-2,17-ジエチル-1,4,5,10,15,16,19,22,23,24-デカヒドロ-3,7,13,18-テトラメチル-1,19-ジオキソ-21H-ビリン-8,12-ジプロパン酸
  • 3-(2-{[3-(2-カルボキシエチル)-5-{[(2R)-4-エチル-3-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イル]メチル}-4-メチル-1H-ピロール-2-イル]メチル}-5-{[(2R)-3-エチル-4-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イル]メチル}-4-メチル-1H-ピロール-3-イル)プロパン酸
  • 3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2R)-3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
Other name (7)：
  • Urobilinogen
  • d-ウロビリノーゲン(C33H44N4O6ビリン)
  • ウロビリノーゲン
  • d-Urobilinogen(C33H44N4O6 biline)
  • (4R,16R)-2,17-Diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
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CAS registry number： 74778-38-4
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