LIPID MAPS

Structure Database (LMSD)

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Common Name

16-carboxy-Delta(13)-17,18,19,20-tetranor-N-acetyl-leukotriene E4

Systematic Name

(5Z,7E,9E,11R,12S)-11-(N-acetyl-L-cystein-S-yl)-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid;(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid

Synonyms

16-carboxy-Delta(13)-17,18,19,20-tetranor-N-acetyl-LTE4
Delta(13)-16-carboxy-tetranor-N-acetyl-LTE4

LM ID

LMFA03020085

Formula

C₂₁H₂₉NO₈S

Exact Mass

Calculate m/z

455.161391

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BPZZKPMTTAQRPN-GNKYHIQVSA-N

InChi (Click to copy)

InChI=1S/C21H29NO8S/c1-15(23)22-16(21(29)30)14-31-18(17(24)10-9-13-20(27)28)11-7-5-3-2-4-6-8-12-19(25)26/h2-8,11,16-18,24H,9-10,12-14H2,1H3,(H,22,23)(H,25,26)(H,27,28)(H,29,30)/b4-2-,5-3+,8-6?,11-7+/t16-,17-,18+/m0/s1

SMILES (Click to copy)

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rattus norvegicus (#10116)

Mammalia (#40674)

Metabolism of leukotriene E4 in isolated rat hepatocytes. Identification of beta-oxidation products of sulfidopeptide leukotrienes.,
J Biol Chem, 1988

Pubmed ID: 2830262