Chem
J-GLOBAL ID：200907070106084830   Nikkaji number：J31.894I

i-Urobilin

i-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： 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/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
InChI key： KDCCOOGTVSRCHX-UHFFFAOYSA-N
SMILES： CCC1=C(C)C(=O)NC1Cc1[nH]c(C=C2N=C(CC3NC(=O)C(=C3C)CC)C(=C2CCC(=O)O)C)c(CCC(=O)O)c1C
Systematic name  (4)：
  • 3,18-ジエチル-1,4,5,15,16,19,22,24-オクタヒドロ-2,7,13,17-テトラメチル-1,19-ジオキソ-21H-ビリン-8,12-ジプロパン酸
  • (4ξ,16ξ)-ウロビリン
  • 3-(2-{[3-(2-カルボキシエチル)-5-[(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-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-ethyl-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 (8)：
  • i-ウロビリン
  • ウロビリンIXα
  • i-Urobilin
  • Urobilin-IXα
  • 3,18-Diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
Show all
CAS registry number： 1856-98-0
Regulation number (2)：
  • EINECS2174563
  • TSCA(1856-98-0)
KEGG COMPOUND： C05794
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