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CHEBI:138326 - (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid

ChEBI IDCHEBI:138326
ChEBI Name(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid
Stars
ASCII Name(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid
DefinitionA hydroperoxy(hydroxy)icosatetraenoic acid that is (7E,9E,11Z,13E)-icosatetraenoic acid carrying 2 hydroxy substituents at positions 5S and 6R as well as a hydroperoxy substituent at position 15S.
Last Modified29 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
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)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1
InChIKeyZTTPPKHGJLLMDB-SSQFXEBMSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid (CHEBI:138326) is a diol (CHEBI:23824)
(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid (CHEBI:138326) is a hydroperoxy(hydroxy)icosatetraenoic acid (CHEBI:138327)
(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid (CHEBI:138326) is a secondary allylic alcohol (CHEBI:134396)
(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)
Incoming Relation(s)
(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)
IUPAC Name 
(5S,6R,7E,9E,11Z,13E,15S)-15-hydroperoxy-5,6-dihydroxyicosa-7,9,11,13-tetraenoic acid
Synonyms  Source
(5S,6R,7E,9E,11Z,13E,15S)-15-hydroperoxy-5,6-dihydroxyicosatetraenoic acidChEBI
(5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-eicosatetraenoic acidChEBI
Registry NumbersSources
Reaxys:6070622Reaxys
Citations