Chem
J-GLOBAL ID：200907073574618069   Nikkaji number：J2.759.311I

D-Urobilin

D-ウロビリン
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： C33H40N4O6
Molecular formula furigana： C33-H40-N4-O6
Molecular weight： 588.705
InChI： InChI=1S/C33H40N4O6/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/h8,15,26-27,35H,2,7,9-14H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
InChI key： DOKCNDVEPDZOJQ-UHFFFAOYSA-N
SMILES： CCC1=C(C)C(=O)NC1Cc1[nH]c(C=C2N=C(CC3NC(=O)C(=C3C)C=C)C(=C2CCC(=O)O)C)c(CCC(=O)O)c1C
Systematic name  (3)：
  • (4ξ,16ξ)-181,182-ジデヒドロウロビリン
  • 3-(2-{[3-(2-カルボキシエチル)-5-[(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-2H-ピロール-2-イリデン]メチル}-5-[(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-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-[(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)：
  • (4ξ,16ξ)-181,182-Didehydrourobilin
  • D-Urobilin
  • D-ウロビリン
KEGG COMPOUND： C05795
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