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CHEBI:134418 - (12R)-hydroxy-10,11-dihydroleukotriene E4

ChEBI IDCHEBI:134418
ChEBI Name(12R)-hydroxy-10,11-dihydroleukotriene E4
Stars
ASCII Name(12R)-hydroxy-10,11-dihydroleukotriene E4
DefinitionA leukotriene with formula C23H39NO6S that results from the metabilism of leukotriene B4 by human keratinocytes.
Last Modified7 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC23H39NO6S
Net Charge0
Average Mass457.633
Monoisotopic Mass457.24981
SMILESCCCCC/C=C\C[C@@H](O)C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,15,18-21,25-26H,2-5,11-14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b8-6-,9-7+,15-10+/t18-,19+,20+,21-/m1/s1
InChIKeyFZJOTYMARNGISF-SHPAXQKOSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (8244977)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418) has role human xenobiotic metabolite (CHEBI:76967)
(12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418) is a L-cysteine thioether (CHEBI:27532)
(12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418) is a amino dicarboxylic acid (CHEBI:36164)
(12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418) is a diol (CHEBI:23824)
(12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418) is a leukotriene (CHEBI:25029)
(12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
(12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418) is a secondary alcohol (CHEBI:35681)
(12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418) is conjugate acid of (12R)-hydroxy-10,11-dihydroleukotriene E4(1−) (CHEBI:133320)
Incoming Relation(s)
(12R)-hydroxy-10,11-dihydroleukotriene E4(1−) (CHEBI:133320) is conjugate base of (12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418)
IUPAC Name 
(5S,6R,7E,9E,12R,14Z)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5,12-dihydroxyicosa-7,9,14-trienoic acid
Synonyms  Source
5S,12R-Dihydroxy-6-S-cysteinyl-7E,9E,14Z-eicosatrienoic acidHMDB
ELTB3HMDB
5,12-Dihydroxy-6-cysteinyl-7,9,14-eicosatrienoic acidHMDB
(5S,6R,12R)-Dihydroxy-6-(S-cysteinyl)-(7E,9E,14Z)-eicosatrienoic acidHMDB
Manual XrefsDatabases
HMDB0012501HMDB
Citations