Chem
J-GLOBAL ID：200907058749578937   Nikkaji number：J2.759.269D

(3Z)-Phycocyanobilin

(3Z)-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-JLDIHASISA-N
SMILES： CCC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)[C@H](C)/C/4=C/C)c(C)c3CCC(=O)O)C(=C2C)CCC(=O)O)NC1=O
Systematic name  (3)：
  • (2R,3Z)-2-ヒドロ-3,31-ジデヒドロメソビリベルジン
  • 3-(2-{[3-(2-カルボキシエチル)-5-{[(3Z,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-[(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-(2-{[3-(2-carboxyethyl)-5-{[(3Z,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methylidene}-5-[(4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-3-yl)propanoic acid
Other name (3)：
  • (2R,3Z)-2-Hydro-3,31-didehydromesobiliverdin
  • (3Z)-Phycocyanobilin
  • (3Z)-フィコシアノビリン
KEGG COMPOUND： C05786
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