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CHEBI:140258 - 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid

ChEBI IDCHEBI:140258
ChEBI Name14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid
Stars
ASCII Name14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid
DefinitionA docosanoid that is (7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 14S and 21. An intermediate of specialised proresolving mediators.
Last Modified8 March 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCC(O)/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H34O4/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/h2-3,6,8,11-14,16-17,20-21,23-24H,4-5,7,9-10,15,18-19H2,1H3,(H,25,26)/b3-2-,8-6-,14-11-,16-12-,17-13+/t20?,21-/m1/s1
InChIKeyINESDRVMAJDUCT-SYINVYGLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23736886)
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.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid (CHEBI:140258) has role anti-inflammatory agent (CHEBI:67079)
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid (CHEBI:140258) has role human xenobiotic metabolite (CHEBI:76967)
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid (CHEBI:140258) is a docosanoid (CHEBI:131863)
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid (CHEBI:140258) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid (CHEBI:140258) is a long-chain fatty acid (CHEBI:15904)
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid (CHEBI:140258) is a secondary allylic alcohol (CHEBI:134396)
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid (CHEBI:140258) is conjugate acid of 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoate (CHEBI:140393)
Incoming Relation(s)
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoate (CHEBI:140393) is conjugate base of 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid (CHEBI:140258)
IUPAC Name 
(7Z,10Z,12E,14S,16Z,19Z)-14,21-dihydroxydocosa-7,10,12,16,19-pentaenoic acid
Synonyms  Source
MaR3n-3 DPASUBMITTER
14(S),21-dihydroxy-omega3-docosapentaenoic acidChEBI
14(S),21-dihydroxy-ω3-docosapentaenoic acidChEBI
(7Z,10Z,12E,14S,16Z,19Z)-14,21-dihydroxydocosapentaenoic acidChEBI
Citations