Structure Database (LMSD)

Common Name
14-carboxy-15,16,17,18,19,20-hexanor-leukotriene E3
Systematic Name
(3Z,5E,7E,9R,10S)-9-(((R)-2-amino-2-carboxyethyl)thio)-10-hydroxytetradeca-3,5,7-trienedioic acid
Synonyms
  • 14-carboxy-15,16,17,18,19,20-hexanor-LTE3
  • 14-carboxy-hexanor-LTE3
  • 14-carboxy-hexanor-leukotriene E3
LM ID
LMFA03020052
Formula
C17H25NO7S
Exact Mass
Calculate m/z
387.135176
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Leukotrienes [FA0302]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Amino fatty acids [FA0110]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Leukotriene E4 elimination and metabolism in normal human subjects.,
J Biol Chem, 1990
Pubmed ID: 2174886

String Representations

InChiKey (Click to copy)
AKPPXGOSRLMJLI-PYYRFDPSSA-N
InChi (Click to copy)
InChI=1S/C17H25NO7S/c18-12(17(24)25)11-26-14(13(19)7-6-10-16(22)23)8-4-2-1-3-5-9-15(20)21/h1-5,8,12-14,19H,6-7,9-11,18H2,(H,20,21)(H,22,23)(H,24,25)/b2-1+,5-3-,8-4+/t12-,13-,14+/m0/s1
SMILES (Click to copy)
C(C(=O)O)/C=C\C=C\C=C\[C@@H](SC[C@@H](C(O)=O)N)[C@H](CCCC(O)=O)O

Other Databases

CHEBI ID
74019
PubChem CID
71581075

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 377.86
Topological Polar Surface Area 158.15
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 2.40
Molar Refractivity 101.05

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Updated at
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