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CHEBI:140224 - (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid

ChEBI IDCHEBI:140224
ChEBI Name(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid
Stars
ASCII Name(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid
DefinitionA (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialized proresolving mediators
Last Modified28 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC/C=C\C[C@@H]1O[C@H]1/C=C/C=C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,10,12,14-15,18,20-21H,2,4,9,11,13,16-17,19H2,1H3,(H,23,24)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21-/m0/s1
InChIKeyAVAZFRKFZXNPMT-HWOJEQMHSA-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).
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:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid (CHEBI:140224) has role human xenobiotic metabolite (CHEBI:76967)
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid (CHEBI:140224) is a (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid (CHEBI:72855)
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid (CHEBI:140224) is conjugate acid of (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoate (CHEBI:140290)
Incoming Relation(s)
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoate (CHEBI:140290) is conjugate base of (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid (CHEBI:140224)
IUPAC Name 
(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-7,10,12,14-tetraenoic acid
Synonyms  Source
16(S),17(S)-epoxy-DPA(n−3)SUBMITTER
16(S),17(S)-epoxy-ω−3-docosapentaenoic acidChEBI
(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosa-7,10,12,14,19-pentaenoic acidChEBI
Registry NumbersSources
Reaxys:31878856Reaxys
Citations