Chem
J-GLOBAL ID:200907061636239290   Nikkaji number:J654.603J

Phytochromobilin

フィトクロモビリン
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: 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/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13?,27-14?,28-15?/t19-/m1/s1
InChI key: DKMLMZVDTGOEGU-HDIXQNBFSA-N
SMILES: C/C=C/1\[C@@H](C)C(=O)NC1=Cc1[nH]c(C=C2N=C(C=C3NC(=O)C(=C3C)C=C)C(=C2CCC(=O)O)C)c(CCC(=O)O)c1C
Systematic name  (4):
  • (3E)-18-エテニル-3-エチリデン-1,2,3,19,22,24-ヘキサヒドロ-2α,7,13,17-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
  • (2R,3E)-18-ビニル-3-エチリデン-1,2,3,19,22,24-ヘキサヒドロ-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
  • 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-イリデン)メチル]-4-メチル-2H-ピロール-2-イリデン]メチル}-5-{[(3E,4R)-3-エチリデン-4-メチル-5-オキソピロリジン-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-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
Other name (6):
  • (3E)-フィトクロモビリン
  • (3E)-Phytochromobilin
  • (3E)-18-Ethenyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2α,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
  • (2R,3E)-18-Vinyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
  • Phytochromobilin
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CAS registry number: 143392-71-6
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