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Substance Name: N-Acetylleukotriene D4
RN: 80115-94-2
InChIKey: HJNOQTNZXQEPJB-NYLUJPCVSA-N

Note

  • A stable internal standard for automated Bio-Fast HPLC extraction & separation of LTE4 from human urine.

Molecular Formula

  • C27-H42-N2-O7-S

Molecular Weight

  • 538.7018
 
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Names and Synonyms

Name of Substance

  • N-Acetylleukotriene D4

Systematic Name

  • Glycine, N-(N-acetyl-S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)-, (R-(R*,S*-(E,E,Z,Z)))-

Registry Numbers

CAS Registry Number

  • 80115-94-2

System Generated Number

  • 0080115942

Structure Descriptors

InChI

1S/C27H42N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24(23(31)16-15-18-25(32)33)37-20-22(29-21(2)30)27(36)28-19-26(34)35/h7-8,10-14,17,22-24,31H,3-6,9,15-16,18-20H2,1-2H3,(H,28,36)(H,29,30)(H,32,33)(H,34,35)/b8-7-,11-10-,13-12+,17-14+/t22-,23-,24+/m0/s1

InChIKey

HJNOQTNZXQEPJB-NYLUJPCVSA-N

Smiles

CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)C