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CHEBI:140266 - 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid

ChEBI IDCHEBI:140266
ChEBI Name16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid
Stars
ASCII Name16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid
DefinitionA dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,10Z,13E,14E,19Z)-docosapentaenoic acid carrying two hydroxy substituents at the 16 and 17-S positions. It is an intermediate of specialised proresolving mediators.
Last Modified12 March 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCC/C=C\C[C@H](O)C(O)/C=C/C=C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,10,12,14-15,18,20-21,23-24H,2,4,9,11,13,16-17,19H2,1H3,(H,25,26)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21?/m0/s1
InChIKeyHRNHRTOXACGZNE-KXMOHCNRSA-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).
Biological Roles:
specialised pro-resolving mediator  A class of cell signaling molecules enzymatically derived from n-3 long chain polyunsaturated fatty acids that have important roles in orchestrating the resolution of tissue inflammation.
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.
Application:
specialised pro-resolving mediator  A class of cell signaling molecules enzymatically derived from n-3 long chain polyunsaturated fatty acids that have important roles in orchestrating the resolution of tissue inflammation.
ChEBI Ontology
Outgoing Relation(s)
16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) has role human xenobiotic metabolite (CHEBI:76967)
16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) has role specialised pro-resolving mediator (CHEBI:140399)
16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) is a DiHDPE (CHEBI:72656)
16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) is a protectin (CHEBI:193572)
16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) is conjugate acid of 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoate (CHEBI:140406)
Incoming Relation(s)
16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoate (CHEBI:140406) is conjugate base of 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266)
IUPAC Name 
(7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosa-7,10,12,14,19-pentaenoic acid
Synonyms  Source
PD2n-3 DPASUBMITTER
protectin D2n-3 DPAChEBI
16,17(S)-dihydroxy-7Z,10Z,13E,14E,19Z-docosapentaenoic acidChEBI
16,17(S)-dihydroxy-ω3-docosapentaenoic acidChEBI
16,17(S)-dihydroxy-omega3-docosapentaenoic acidChEBI
(PD)2n-3 DPAChEBI
Registry NumbersSources
Reaxys:31878852Reaxys
Citations