Chem
J-GLOBAL ID:200907013140588622   Nikkaji number:J2.759.294E

D-Urobilinogen

D-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: C33H42N4O6
Molecular formula furigana: C33-H42-N4-O6
Molecular weight: 590.721
InChI: InChI=1S/C33H42N4O6/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/h8,26-27,34-35H,2,7,9-15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t26-,27-/m1/s1
InChI key: KSQFFJKKJAEKTB-KAYWLYCHSA-N
SMILES: CCC1=C(C)C(=O)N[C@@H]1Cc1[nH]c(Cc2[nH]c(C[C@H]3NC(=O)C(=C3C)C=C)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C
Systematic name  (3):
  • 181,182-ジデヒドロウロビリノーゲン
  • 3-(2-{[3-(2-カルボキシエチル)-5-{[(2R)-4-エテニル-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-ethenyl-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 (3):
  • 181,182-Didehydrourobilinogen
  • D-Urobilinogen
  • D-ウロビリノーゲン
KEGG COMPOUND: C05791
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