CHEBI:133320 - (12R)-hydroxy-10,11-dihydroleukotriene E4(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (12R)-hydroxy-10,11-dihydroleukotriene E4(1−)
ChEBI ID CHEBI:133320
ChEBI ASCII Name (12R)-hydroxy-10,11-dihydroleukotriene E4(1-)
Definition An icosanoid anion that is the conjugate base of (12R)-hydroxy-10,11-dihydroleukotriene E4, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C23H38NO6S
Net Charge -1
Average Mass 456.618
Monoisotopic Mass 456.24253
InChI InChI=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)/p-1/b8-6-,9-7+,15-10+/t18-,19+,20+,21-/m1/s1
InChIKey FZJOTYMARNGISF-SHPAXQKOSA-M
SMILES C(/C=C\CCCCC)[C@H](C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)[O-])SC[C@H]([NH3+])C(=O)[O-])O
ChEBI Ontology
Outgoing (12R)-hydroxy-10,11-dihydroleukotriene E4(1−) (CHEBI:133320) is a dicarboxylic acid monoanion (CHEBI:35695)
(12R)-hydroxy-10,11-dihydroleukotriene E4(1−) (CHEBI:133320) is a icosanoid anion (CHEBI:62937)
(12R)-hydroxy-10,11-dihydroleukotriene E4(1−) (CHEBI:133320) is conjugate base of (12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418)
Incoming (12R)-hydroxy-10,11-dihydroleukotriene E4 (CHEBI:134418) is conjugate acid of (12R)-hydroxy-10,11-dihydroleukotriene E4(1−) (CHEBI:133320)
IUPAC Name
(5S,6R,7E,9E,12R,14Z)-6-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-5,12-dihydroxyicosa-7,9,14-trienoate
Synonyms Sources
(5S,12R)-dihydroxy-(6R)-cysteinyl-(7E,9E,14Z)-icosatrienoate SUBMITTER
10,11-dihydro-(12R)-hydroxy-leukotriene E4 UniProt
Last Modified
07 February 2017