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CHEBI:137442 - (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoate

ChEBI IDCHEBI:137442
ChEBI Name(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoate
Stars
ASCII Name(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate
DefinitionA docosanoid anion that is the conjugate base of (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified17 August 2017
Submitternhn
DownloadsMolfile
FormulaC22H31O4
Net Charge-1
Average Mass359.486
Monoisotopic Mass359.22278
SMILESCC/C=C\C/C=C\C[C@H](O)[C@H](O)/C=C/C=C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H32O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h3-4,6-7,9-15,18,20-21,23-24H,2,5,8,16-17,19H2,1H3,(H,25,26)/p-1/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t20-,21+/m0/s1
InChIKeyALWYOLKNLLFCAY-GYROAIJESA-M
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (25036362)
ChEBI Ontology
Outgoing Relation(s)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoate (CHEBI:137442) is a docosanoid anion (CHEBI:131864)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoate (CHEBI:137442) is a hydroxy fatty acid anion (CHEBI:59835)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoate (CHEBI:137442) is a long-chain fatty acid anion (CHEBI:57560)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoate (CHEBI:137442) is a polyunsaturated fatty acid anion (CHEBI:76567)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoate (CHEBI:137442) is conjugate base of (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoic acid (CHEBI:138248)
Incoming Relation(s)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoic acid (CHEBI:138248) is conjugate acid of (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoate (CHEBI:137442)
IUPAC Name 
(4Z,7Z,9E,11E,13R,14S,16Z,19Z )-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoate
Synonyms  Source
maresin 2(1−)SUBMITTER
MaR2(1−)SUBMITTER
(4Z,7Z,9E,11E,13R,14S,16Z,19Z )-13,14-dihydroxydocosahexaenoateChEBI
UniProt Name  Source
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoateUniProt
Citations