13,14-dihydro-Delta(12)-prostaglandin J2 (CHEBI:28130)

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CHEBI:28130 - 13,14-dihydro-Δ¹²-prostaglandin J₂

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ChEBI ID	CHEBI:28130
ChEBI Name	13,14-dihydro-Δ¹²-prostaglandin J₂
Stars
ASCII Name	13,14-dihydro-Delta(12)-prostaglandin J2
Definition	A member of the class of prostaglandins J that is prosta-5,9,12-trien-1-oic acid carrying oxo and hydsroxy substituents at positions 11 and 15 respectively (the 5Z,12E,15S-stereoisomer).
Secondary ChEBI IDs	CHEBI:10537, CHEBI:23604
Last Modified	4 June 2018
Downloads	Molfile

Formula	C20H30O4
Net Charge	0
Average Mass	334.456
Monoisotopic Mass	334.21441
SMILES	CCCCC[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O
InChI	InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1
InChIKey	TUXFWOHFPFBNEJ-GJGHEGAFSA-N

Roles Classification

Biological Role:	antiviral agent A substance that destroys or inhibits replication of viruses.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	13,14-dihydro-Δ¹²-prostaglandin J₂ (CHEBI:28130) has functional parent prostaglandin J₂ (CHEBI:27485)
	13,14-dihydro-Δ¹²-prostaglandin J₂ (CHEBI:28130) has role antineoplastic agent (CHEBI:35610)
	13,14-dihydro-Δ¹²-prostaglandin J₂ (CHEBI:28130) has role antiviral agent (CHEBI:22587)
	13,14-dihydro-Δ¹²-prostaglandin J₂ (CHEBI:28130) is a prostaglandins J (CHEBI:26346)
	13,14-dihydro-Δ¹²-prostaglandin J₂ (CHEBI:28130) is a secondary alcohol (CHEBI:35681)
	13,14-dihydro-Δ¹²-prostaglandin J₂ (CHEBI:28130) is conjugate acid of 13,14-dihydro-Δ¹²-prostaglandin J₂(1−) (CHEBI:133424)
Incoming Relation(s)
Incoming Relation(s)	13,14-dihydro-Δ¹²-prostaglandin J₂(1−) (CHEBI:133424) is conjugate base of 13,14-dihydro-Δ¹²-prostaglandin J₂ (CHEBI:28130)

IUPAC Name
(5Z,12E,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid

Synonyms	Source
delta-12-Prostaglandin J2	KEGG COMPOUND
delta-12-PGJ2	KEGG COMPOUND
δ-12-PGJ2	LIPID MAPS
9-Deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin D2	ChemIDplus
9-Deoxy-delta(9), delta(12)-13,14-dihydroprostaglandin D2	ChemIDplus
9-Deoxy-delta(9,12)-13,14-dihydro PGD2	ChemIDplus

Manual Xrefs	Databases
C05958	KEGG COMPOUND
LMFA03010020	LIPID MAPS

Registry Numbers	Sources
CAS:87893-54-7	KEGG COMPOUND
CAS:87893-54-7	ChemIDplus