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CHEBI:137021 - 5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid

ChEBI IDCHEBI:137021
ChEBI Name5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid
Stars
ASCII Name5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid
DefinitionA 5(),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid in which the 18-hydroxy group has S-configuration.
Last Modified11 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC[C@H](O)/C=C/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O
InChIInChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18-,19-/m0/s1
InChIKeyZPAJZAMPZXISSE-FQNQZZNVSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (21206090)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid (CHEBI:137021) has role human metabolite (CHEBI:77746)
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid (CHEBI:137021) is a 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid (CHEBI:136355)
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid (CHEBI:137021) is conjugate acid of 5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate (CHEBI:134661)
Incoming Relation(s)
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate (CHEBI:134661) is conjugate base of 5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid (CHEBI:137021)
IUPAC Name 
4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E,12S)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoic acid
Synonyms  Source
18(S)-hydroxy-5(S),6(S)-EpEPEChEBI
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoic acidChEBI
Citations