EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:137547 - (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoate

Default Structure
ChEBI IDCHEBI:137547
ChEBI Name(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoate
Stars
ASCII Name(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoate
DefinitionAn hydroperoxy(hydroxy)icosatetraenoate that is the conjugate base of (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid; major species at pH 7.3.
Last Modified29 August 2017
Submitternhn
DownloadsMolfile
FormulaC20H31O6
Net Charge-1
Average Mass367.462
Monoisotopic Mass367.21261
SMILESCCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-])OO
InChIInChI=1S/C20H32O6/c1-2-3-8-12-17(26-25)13-9-6-4-5-7-10-14-18(21)19(22)15-11-16-20(23)24/h4-7,9-10,13-14,17-19,21-22,25H,2-3,8,11-12,15-16H2,1H3,(H,23,24)/p-1/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1
InChIKeyZTTPPKHGJLLMDB-SSQFXEBMSA-M
ChEBI Ontology
Outgoing Relation(s)
(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoate (CHEBI:137547) is a hydroperoxy(hydroxy)icosatetraenoate (CHEBI:137548)
(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoate (CHEBI:137547) is conjugate base of (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid (CHEBI:138326)
Incoming Relation(s)
(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid (CHEBI:138326) is conjugate acid of (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoate (CHEBI:137547)
IUPAC Name 
(5S,6R,7E,9E,11Z,13E,15S)-15-hydroperoxy-5,6-dihydroxyicosa-7,9,11,13-tetraenoate
Synonym  Source
(5S,6R,7E,9E,11Z,13E,15S)-15-hydroperoxy-5,6-dihydroxyicosatetraenoateChEBI
UniProt Name  Source
(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-eicosatetraenoateUniProt
Citations