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CHEBI:137368 - (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid

ChEBI IDCHEBI:137368
ChEBI Name(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid
Stars
ASCII Name(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid
DefinitionA dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14R- and 21S-positions.
Secondary ChEBI IDCHEBI:140210
Last Modified22 February 2018
SubmitterBijay, Steve
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESC[C@H](O)/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O4/c1-20(23)16-12-10-11-14-18-21(24)17-13-8-6-4-2-3-5-7-9-15-19-22(25)26/h2-3,6-9,11-14,16-17,20-21,23-24H,4-5,10,15,18-19H2,1H3,(H,25,26)/b3-2-,8-6-,9-7-,14-11-,16-12-,17-13+/t20-,21-/m0/s1
InChIKeyFRJZMMUVPROLHN-XEGNPPHTSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (19965612)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid (CHEBI:137368) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid (CHEBI:137368) is a dihydroxydocosahexaenoic acid (CHEBI:137348)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid (CHEBI:137368) is a secondary allylic alcohol (CHEBI:134396)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid (CHEBI:137368) is conjugate acid of (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate (CHEBI:136536)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid (CHEBI:137368) is enantiomer of (4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-dihydroxydocosahexaenoic acid (CHEBI:137354)
Incoming Relation(s)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate (CHEBI:136536) is conjugate base of (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid (CHEBI:137368)
(4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-dihydroxydocosahexaenoic acid (CHEBI:137354) is enantiomer of (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid (CHEBI:137368)
IUPAC Name 
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid
Synonyms  Source
14R,21S-diHDHAChEBI
(14R,21S)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acidChEBI
(14R,21S)-DiHDoHEChEBI
14(R),21(S)-diHDHASUBMITTER
14(R),21(S)-dihydroxydocosahexaenoic acidChEBI
Citations