Chem
J-GLOBAL ID：200907097755445219   Nikkaji number：J37.091F

Phycocyanobilin

フィコシアノビリン
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： C33H38N4O6
Molecular formula furigana： C33-H38-N4-O6
Molecular weight： 586.689
InChI： InChI=1S/C33H38N4O6/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/h7,13-15,19,35H,8-12H2,1-6H3,(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： INPDFIMLLXXDOQ-UAWLBFNISA-N
SMILES： CCC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C/4\NC(=O)[C@H](C)\C4=C/C)c(C)c3CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O
Systematic name  (3)：
  • (2R,3E,4Z,10Z,15Z)-18-エチル-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-[(2Z)-2-{[3-(2-カルボキシエチル)-5-{[(2Z,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-2-イル]メチリデン}-5-{[(2Z)-4-エチル-3-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン]メチル}-4-メチル-2H-ピロール-3-イル]プロパン酸
  • 3-[(2Z)-2-{[3-(2-carboxyethyl)-5-{[(2Z,3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methylidene}-5-{[(2Z)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid
Other name (5)：
  • フィコシアノビリン
  • Phycocyanobilin
  • 3(E)-フィコシアノビリン
  • (2R,3E,4Z,10Z,15Z)-18-Ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
  • 3(E)-Phycocyanobilin
CAS registry number： 20298-86-6
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