PTG

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

Created:	2008-03-16
Last modified:	2024-09-27

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2 entries where PTG is found as a standalone ligand2 entries where PTG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	51
Aromatic Bond Count	0

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Chemical Component Summary
Name	(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
Synonyms	15-deoxy-delta(12,14)-prostaglandin J2
Systematic Name (OpenEye OEToolkits)	(E)-7-[(1S)-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid
Formula	C₂₀ H₂₈ O₃
Molecular Weight	316.435
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C\1C=CC(C/1=C\C=C\CCCCC)C/C=C/CCCC(=O)O
SMILES	CACTVS	3.341	CCCCCC=CC=C1[CH](CC=CCCCC(O)=O)C=CC1=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O
Canonical SMILES	CACTVS	3.341	CCCCC\C=C\C=C/1[C@@H](C\C=C\CCCC(O)=O)C=CC/1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=O)O
InChI	InChI	1.03	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	InChI	1.03	VHRUMKCAEVRUBK-XOVNXQNQSA-N

Drug Info: DrugBank

DrugBank ID	DB08435
Name	(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
Groups	experimental
Synonyms	(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Peroxisome proliferator-activated receptor gamma	MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682