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CHEBI:57462 - leukotriene E4(1−)

ChEBI IDCHEBI:57462
ChEBI Nameleukotriene E4(1−)
Stars
ASCII Nameleukotriene E4(1-)
DefinitionThe leukotriene anion that is the conjugate base of leukotriene E4 arising from deprotonation of the two carboxy groups and protonation of the cysteinyl α-amino group.
Last Modified2 May 2016
DownloadsMolfile
FormulaC23H36NO5S
Net Charge-1
Average Mass438.610
Monoisotopic Mass438.23197
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/p-1/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
InChIKeyOTZRAYGBFWZKMX-FRFVZSDQSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
leukotriene E4(1−) (CHEBI:57462) has role human metabolite (CHEBI:77746)
leukotriene E4(1−) (CHEBI:57462) is a dicarboxylic acid anion (CHEBI:35693)
leukotriene E4(1−) (CHEBI:57462) is a leukotriene anion (CHEBI:62942)
leukotriene E4(1−) (CHEBI:57462) is conjugate base of leukotriene E4 (CHEBI:15650)
Incoming Relation(s)
leukotriene E4 (CHEBI:15650) is conjugate acid of leukotriene E4(1−) (CHEBI:57462)
IUPAC Names 
S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteinium
(5S,6R,7E,9E,11Z,14Z)-6-(cysteinium-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Synonym  Source
leukotriene E4 anionChEBI
UniProt Name  Source
leukotriene E4UniProt