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CHEBI:58584 - 20-hydroxy-leukotriene E4(1−)

ChEBI IDCHEBI:58584
ChEBI Name20-hydroxy-leukotriene E4(1−)
Stars
ASCII Name20-hydroxy-leukotriene E4(1-)
DefinitionConjugate base of 20-hydroxy-leukotriene E4.
Last Modified13 November 2017
DownloadsMolfile
FormulaC23H36NO6S
Net Charge-1
Average Mass454.609
Monoisotopic Mass454.22688
SMILES[NH3+][C@@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCCO)[C@@H](O)CCCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/p-1/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1
InChIKeyBJRMBXPQAMDCMG-CMJQBAFXSA-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)
20-hydroxy-leukotriene E4(1−) (CHEBI:58584) has role human metabolite (CHEBI:77746)
20-hydroxy-leukotriene E4(1−) (CHEBI:58584) is a dicarboxylic acid anion (CHEBI:35693)
20-hydroxy-leukotriene E4(1−) (CHEBI:58584) is conjugate base of 20-hydroxy-leukotriene E4 (CHEBI:28700)
Incoming Relation(s)
20-hydroxy-leukotriene E4 (CHEBI:28700) is conjugate acid of 20-hydroxy-leukotriene E4(1−) (CHEBI:58584)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-ammonio-2-carboxylatoethyl]sulfanyl}-5,20-dihydroxyicosa-7,9,11,14-tetraenoate
UniProt Name  Source
20-hydroxy-leukotriene E4UniProt