Chem
J-GLOBAL ID：200907055685360402   Nikkaji number：J2.775.648D

omega-COOH-LTE4NAc

(5S,6R,7E,9E,11Z,14Z)-6-(N-アセチルシステイン-S-イル)-5-ヒドロキシイコサ-7,9,11,14-テトラエン二酸
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： C25H37NO8S
Molecular formula furigana： C25-H37-N-O8-S
Molecular weight： 511.630
InChI： InChI=1S/C25H37NO8S/c1-19(27)26-20(25(33)34)18-35-22(21(28)14-13-17-24(31)32)15-11-9-7-5-3-2-4-6-8-10-12-16-23(29)30/h3-7,9,11,15,20-22,28H,2,8,10,12-14,16-18H2,1H3,(H,26,27)(H,29,30)(H,31,32)(H,33,34)/b5-3-,6-4-,9-7+,15-11+/t20-,21-,22+/m0/s1
InChI key： CDLXVLKWNIXANF-WGJURILISA-N
SMILES： CC(=O)N[C@@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC(=O)O)[C@@H](O)CCCC(=O)O)C(=O)O
Systematic name  (3)：
  • (5S,6R,7E,9E,11Z,14Z)-6-(N-アセチルシステイン-S-イル)-5-ヒドロキシイコサ-7,9,11,14-テトラエン二酸
  • (6Z,9Z,11E,13E,15R,16S)-15-{[(2R)-2-カルボキシ-2-アセトアミドエチル]スルファニル}-16-ヒドロキシイコサ-6,9,11,13-テトラエン二酸
  • (6Z,9Z,11E,13E,15R,16S)-15-{[(2R)-2-carboxy-2-acetamidoethyl]sulfanyl}-16-hydroxyicosa-6,9,11,13-tetraenedioic acid
Other name (4)：
  • (5S,6R,7E,9E,11Z,14Z)-6-(N-Acetylcysteine-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenedioic acid
  • omega-Carboxy-N-acetyl-LTE4
  • (7E,9E,11Z,14Z)-(5S,6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraen-1,20-dioate
  • omega-COOH-LTE4NAc
KEGG COMPOUND： C11629
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