CHEBI:134513 - 20-oxoleukotriene E₄

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ChEBI Name 20-oxoleukotriene E4 ChEBI ID CHEBI:134513 ChEBI ASCII Name 20-oxoleukotriene E4 Definition A leukotriene that is leukotriene E4 in which the terminal methyl grop has been oxidised to the corresponding aldehyde Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ZINC000001529884 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H35NO6S Net Charge 0 Average Mass 453.594 Monoisotopic Mass 453.21851 InChI InChI=1S/C23H35NO6S/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/h2-5,7,9,11,15,17,19-21,26H,1,6,8,10,12-14,16,18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1 InChIKey DXFWBOQUFGDWDP-CMJQBAFXSA-N SMILES C(/C=C\CCCCC(=O)[H])\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)O)SC[C@H](N)C(=O)O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 20-oxoleukotriene E4 (CHEBI:134513) has functional parent leukotriene E4 (CHEBI:15650) 20-oxoleukotriene E4 (CHEBI:134513) is a L-cysteine thioether (CHEBI:27532) 20-oxoleukotriene E4 (CHEBI:134513) is a aldehyde (CHEBI:17478) 20-oxoleukotriene E4 (CHEBI:134513) is a amino dicarboxylic acid (CHEBI:36164) 20-oxoleukotriene E4 (CHEBI:134513) is a leukotriene (CHEBI:25029) 20-oxoleukotriene E4 (CHEBI:134513) is a non-proteinogenic L-α-amino acid (CHEBI:83822) 20-oxoleukotriene E4 (CHEBI:134513) is a secondary alcohol (CHEBI:35681) 20-oxoleukotriene E4 (CHEBI:134513) is conjugate acid of 20-oxoleukotriene E4(1−) (CHEBI:133433) Incoming 20-oxoleukotriene E4(1−) (CHEBI:133433) is conjugate base of 20-oxoleukotriene E4 (CHEBI:134513) IUPAC Name (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-20-oxoicosa-7,9,11,14-tetraenoic acid Synonyms Sources 20-Oxo-leukotriene E4 HMDB 20-oxo-LTE4 ChEBI 6-(S-Cysteinyl)-20-oxo-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenoic acid HMDB Manual Xref Database HMDB0012642 HMDB View more database links Last Modified 13 February 2017