Chem
J-GLOBAL ID：200907005008440230   Nikkaji number：J401.583E

N-AcetylLTE4

N-アセチルLTE4
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： C25H39NO6S
Molecular formula furigana： C25-H39-N-O6-S
Molecular weight： 481.650
InChI： InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21-,22-,23+/m0/s1
InChI key： BGGYAYMMFYBWEX-HXDOPMNESA-N
SMILES： CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)C)C(=O)O)[C@@H](O)CCCC(=O)O
Systematic name  (3)：
  • (5S,6R,7E,9E,11Z,14Z)-5-ヒドロキシ-6-[[(R)-2-アセチルアミノ-2-カルボキシエチル]チオ]-7,9,11,14-イコサテトラエン酸
  • (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-カルボキシ-2-アセトアミドエチル]スルファニル}-5-ヒドロキシイコサ-7,9,11,14-テトラエン酸
  • (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-carboxy-2-acetamidoethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Other name (5)：
  • N-アセチルLTE4
  • N-アセチルロイコトリエンE4
  • N-AcetylLTE4
  • N-Acetylleukotriene E4
  • (5S,6R,7E,9E,11Z,14Z)-5-Hydroxy-6-[[(R)-2-acetylamino-2-carboxyethyl]thio]-7,9,11,14-icosatetraenoic acid
CAS registry number： 80115-95-3
KEGG COMPOUND： C11361
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