PGX

7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID

Created:	1999-11-10
Last modified:	2021-03-01

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1 entries where PGX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	5
Bond Count	59
Aromatic Bond Count	0

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Chemical Component Summary
Name	7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID
Synonyms	PROSTAGLANDIN G2
Systematic Name (OpenEye OEToolkits)	(Z)-7-[(1S,4R,5R,6R)-5-[(E,3S)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
Formula	C₂₀ H₃₂ O₆
Molecular Weight	368.464
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCC/C=C\CC2C1OOC(C1)C2/C=C/C(OO)CCCCC
SMILES	CACTVS	3.341	CCCCC[CH](OO)C=C[CH]1[CH]2C[CH](OO2)[CH]1CC=CCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OO2)OO
Canonical SMILES	CACTVS	3.341	CCCCC[C@H](OO)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO
InChI	InChI	1.03	InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey	InChI	1.03	SGUKUZOVHSFKPH-YNNPMVKQSA-N

Drug Info: DrugBank

DrugBank ID	DB03866
Name	Prostaglandin G2
Groups	experimental
Description	A cyclic endoperoxide intermediate produced by the action of CYCLOOXYGENASE on ARACHIDONIC ACID. It is further converted by a series of specific enzymes to the series 2 prostaglandins. [PubChem]
Synonyms	Prostaglandin G2
Categories	Anions Autacoids Biological Factors Eicosanoids Electrolytes Fatty Acids Fatty Acids, Unsaturated Free Radicals Inflammation Mediators Ions Lipids Oxides Oxygen Compounds Peroxides Prostaglandin Endoperoxides Prostaglandins Reactive Oxygen Species

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prostaglandin G/H synthase 2	MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...	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