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CHEBI:137347 - (14S)-HDoHE

ChEBI IDCHEBI:137347
ChEBI Name(14S)-HDoHE
Stars
ASCII Name(14S)-HDoHE
DefinitionA 14-HDoHE in which the stereocentre at position 14 has S-configuration.
Secondary ChEBI IDCHEBI:140217
Last Modified22 February 2018
SubmitterBijay, Steve
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1
InChIKeyZNEBXONKCYFJAF-OUKOMXQNSA-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).
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 Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(14S)-HDoHE (CHEBI:137347) is a 14-HDoHE (CHEBI:72647)
(14S)-HDoHE (CHEBI:137347) is conjugate acid of (14S)-HDoHE(1−) (CHEBI:136526)
(14S)-HDoHE (CHEBI:137347) is enantiomer of (14R)-HDoHE (CHEBI:137346)
Incoming Relation(s)
(14S)-HDoHE(1−) (CHEBI:136526) is conjugate base of (14S)-HDoHE (CHEBI:137347)
(14R)-HDoHE (CHEBI:137346) is enantiomer of (14S)-HDoHE (CHEBI:137347)
IUPAC Name 
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
Synonyms  Source
14S-HDHAChEBI
14(S)-HDoHEChEBI
(14S)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acidChEBI
(14S)-HDHAChEBI
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosahexaenoic acidChEBI
14(S)-HDHASUBMITTER
Registry NumbersSources
Reaxys:5564836Reaxys
Citations