Chem
J-GLOBAL ID：200907001174534485   Nikkaji number：J1.176.971C

(4Z,15E)-Bilirubin

(4Z,15E)-ビリルビン
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： C33H36N4O6
Molecular formula furigana： C33-H36-N4-O6
Molecular weight： 584.673
InChI： InChI=1S/C33H36N4O6/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/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14-
InChI key： BPYKTIZUTYGOLE-KDUUSRDASA-N
SMILES： CC1=C(C=C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C\4/NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)/NC1=O
Systematic name  (4)：
  • (4Z,15E)-ビリルビン
  • (4E,15Z)-2,17-ジビニル-1,10,19,22,23,24-ヘキサヒドロ-3,7,13,18-テトラメチル-1,19-ジオキソ-21H-ビリン-8,12-ジプロピオン酸
  • 3-(2-{[3-(2-カルボキシエチル)-5-{[(2E)-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-イリデン]メチル}-4-メチル-1H-ピロール-2-イル]メチル}-5-{[(2Z)-3-エテニル-4-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン]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-{[(2E)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
Other name (2)：
  • (4Z,15E)-Bilirubin
  • (4E,15Z)-2,17-Divinyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
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