15-deoxy-Delta(12,14)-prostaglandin J2 (CHEBI:34159)

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CHEBI:34159 - 15-deoxy-Δ^12,14-prostaglandin J₂

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ChEBI ID	CHEBI:34159
ChEBI Name	15-deoxy-Δ^12,14-prostaglandin J₂
Stars
ASCII Name	15-deoxy-Delta(12,14)-prostaglandin J2
Definition	A prostaglandin J derivative comprising prostaglandin J₂ lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions.
Last Modified	23 October 2015
Downloads	Molfile

Formula	C20H28O3
Net Charge	0
Average Mass	316.441
Monoisotopic Mass	316.20384
SMILES	CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O
InChI	InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
InChIKey	VHRUMKCAEVRUBK-GODQJPCRSA-N

Roles Classification

Chemical Role:	electrophilic reagent A reagent that forms a bond to its reaction partner (the nucleophile) by accepting both bonding electrons from that reaction partner.
Biological Roles:	insulin-sensitizing drug An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:	electrophilic reagent A reagent that forms a bond to its reaction partner (the nucleophile) by accepting both bonding electrons from that reaction partner. insulin-sensitizing drug An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma).

ChEBI Ontology

Outgoing Relation(s)
	15-deoxy-Δ^12,14-prostaglandin J₂ (CHEBI:34159) has functional parent prostaglandin J₂ (CHEBI:27485)
	15-deoxy-Δ^12,14-prostaglandin J₂ (CHEBI:34159) has role electrophilic reagent (CHEBI:59739)
	15-deoxy-Δ^12,14-prostaglandin J₂ (CHEBI:34159) has role insulin-sensitizing drug (CHEBI:50864)
	15-deoxy-Δ^12,14-prostaglandin J₂ (CHEBI:34159) has role metabolite (CHEBI:25212)
	15-deoxy-Δ^12,14-prostaglandin J₂ (CHEBI:34159) is a prostaglandins J (CHEBI:26346)
	15-deoxy-Δ^12,14-prostaglandin J₂ (CHEBI:34159) is conjugate acid of 15-deoxy-Δ^12,14-prostaglandin J₂(1−) (CHEBI:85236)
Incoming Relation(s)
	15-deoxy-Δ^12,14-prostaglandin J₂-2-glyceryl ester (CHEBI:85238) has functional parent 15-deoxy-Δ^12,14-prostaglandin J₂ (CHEBI:34159)
	15-deoxy-Δ^12,14-prostaglandin J₂(1−) (CHEBI:85236) is conjugate base of 15-deoxy-Δ^12,14-prostaglandin J₂ (CHEBI:34159)

IUPAC Name
(5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid

Synonyms	Source
15-Deoxy-delta-12,14-PGJ2	KEGG COMPOUND
15-Deoxy-delta-12,14-prostaglandin J2	KEGG COMPOUND
15-Deoxy-PGJ2	KEGG COMPOUND
delta-12,14-15-Deoxy-PGJ2	HMDB

Manual Xrefs	Databases
C14717	KEGG COMPOUND
LMFA03010021	LIPID MAPS
HMDB0005079	HMDB

Registry Numbers	Sources
Reaxys:9220741	Reaxys

Citations