(5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-(Acetylamino)-2-carboxyethyl]thio]-5-hydroxy-7,9,11,14-eicosatetraenoic acid

CAS Registry Number®

80115-95-3

CAS Name

(5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-(Acetylamino)-2-carboxyethyl]thio]-5-hydroxy-7,9,11,14-eicosatetraenoic acid

Molecular Formula

C25H39NO6S

Molecular Mass

481.65

Cite this Page

(5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-(Acetylamino)-2-carboxyethyl]thio]-5-hydroxy-7,9,11,14-eicosatetraenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80115-95-3 (retrieved 2024-12-22) (CAS RN: 80115-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

InChIKey=BGGYAYMMFYBWEX-UHFFFAOYSA-N

SMILES

C(SCC(NC(C)=O)C(O)=O)(C(CCCC(O)=O)O)C=CC=CC=CCC=CCCCCC

Canonical SMILES

O=C(O)CCCC(O)C(SCC(NC(=O)C)C(=O)O)C=CC=CC=CCC=CCCCCC

Other Names for this Substance

  • 7,9,11,14-Eicosatetraenoic acid, 6-[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]-5-hydroxy-, (5S,6R,7E,9E,11Z,14Z)-
  • 7,9,11,14-Eicosatetraenoic acid, 6-[[2-(acetylamino)-2-carboxyethyl]thio]-5-hydroxy-, [5S-[5R*,6S*(S*),7E,9E,11Z,14Z]]-
  • (5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-(Acetylamino)-2-carboxyethyl]thio]-5-hydroxy-7,9,11,14-eicosatetraenoic acid
  • N-Acetylleukotriene E4
  • N-Acetyl-LTE4

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.