Chem
J-GLOBAL ID：200907066350954814   Nikkaji number：J2.512.330A

Pyrocystis lunula luciferin

Plルシフェリン
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： C33H38N4Na2O6
Molecular formula furigana： C33-H38-N4-NA2-O6
Molecular weight： 632.669
InChI： InChI=1S/C33H40N4O6.2Na/c1-7-18-14(3)22(12-25-19(8-2)16(5)32(41)36-25)34-24(18)13-23-17(6)28-26(38)11-21(31(28)35-23)30-20(9-10-27(39)40)15(4)29(37-30)33(42)43;;/h8,15,20,25,29,34-35,37H,2,7,9-13H2,1,3-6H3,(H,36,41)(H,39,40)(H,42,43);;/q;2*+1/p-2/t15-,20-,25?,29-;;/m0../s1
InChI key： CNPINWAGWBKSCG-ONXLAUAHSA-L
SMILES： CCc1c(C)c(CC2NC(=O)C(=C2C=C)C)[nH]c1Cc1[nH]c2C(=C3N[C@@H]([C@@H](C)[C@@H]3CCC(=O)O[Na])C(=O)O[Na])CC(=O)c2c1C
Systematic name  (3)：
  • 5β-カルボキシ-2-[2-[[5-[(3-エテニル-2,5-ジヒドロ-4-メチル-5-オキソ-1H-ピロール-2-イル)メチル]-3-エチル-4-メチル-1H-ピロール-2-イル]メチル]-4,5-ジヒドロ-3-メチル-4-オキソシクロペンタ[b]ピロール-6(1H)-イリデン]-4α-メチル-3β-ピロリジンプロパン酸ジナトリウム
  • ナトリウム (2S,3S,4S)-5-[2-({5-[(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-イル)メチル]-3-エチル-4-メチル-1H-ピロール-2-イル}メチル)-3-メチル-4-オキソ-1H,4H,5H,6H-シクロペンタ[b]ピロール-6-イリデン]-3-メチル-4-[3-オキソ-3-(ソジオオキシ)プロピル]ピロリジン-2-カルボキシラート
  • sodium (2S,3S,4S)-5-[2-({5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl}methyl)-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrol-6-ylidene]-3-methyl-4-[3-oxo-3-(sodiooxy)propyl]pyrrolidine-2-carboxylate
Other name (3)：
  • 5β-Carboxy-2-[2-[[5-[(3-ethenyl-2,5-dihydro-4-methyl-5-oxo-1H-pyrrole-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrole-2-yl]methyl]-4,5-dihydro-3-methyl-4-oxocyclopenta[b]pyrrole-6(1H)-ylidene]-4α-methyl-3β-pyrrolidinepropanoic acid disodium salt
  • Plルシフェリン
  • Pyrocystis lunula luciferin
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