EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140257 - 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid

ChEBI IDCHEBI:140257
ChEBI Name13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid
Stars
ASCII Name13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid
DefinitionA docosanoid that is (7Z,9E,11E,16Z,19Z )-docosapentaenoic acid carrying two hydroxy substituents at positions 13 and 14. An intermediate of specialised proresolving mediators.
Last Modified7 March 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCC/C=C\C/C=C\C[C@H](O)C(O)/C=C/C=C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H34O4/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/h3-4,6-7,9,11-12,14-15,18,20-21,23-24H,2,5,8,10,13,16-17,19H2,1H3,(H,25,26)/b4-3-,7-6-,12-9+,14-11-,18-15+/t20-,21?/m0/s1
InChIKeyWQCVCAMRMROGHL-PZSFLIPTSA-N
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)
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid (CHEBI:140257) has role anti-inflammatory agent (CHEBI:67079)
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid (CHEBI:140257) has role human xenobiotic metabolite (CHEBI:76967)
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid (CHEBI:140257) is a docosanoid (CHEBI:131863)
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid (CHEBI:140257) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid (CHEBI:140257) is a long-chain fatty acid (CHEBI:15904)
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid (CHEBI:140257) is a secondary allylic alcohol (CHEBI:134396)
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid (CHEBI:140257) is conjugate acid of 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoate (CHEBI:140387)
Incoming Relation(s)
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoate (CHEBI:140387) is conjugate base of 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z )-docosapentaenoic acid (CHEBI:140257)
IUPAC Name 
(7Z,9E,11E,14S,16Z,19Z)-13,14-dihydroxydocosa-7,9,11,16,19-pentaenoic acid
Synonyms  Source
MaR2n-3 DPASUBMITTER
13,14(S)-dihydroxy-ω3-docosapentaenoic acidChEBI
13,14(S)-dihydroxy-omega3-docosapentaenoic acidChEBI
(7Z,9E,11E,14S,16Z,19Z)-13,14-dihydroxydocosapentaenoic acidChEBI
Citations