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Record Information
Version	2.0
Creation Date	2015-09-08 17:49:07 -0600
Update Date	2016-09-13 16:35:36 -0600
Secondary Accession Numbers	ECMDB24081
Identification
Name:	Prostaglandin G2
Description
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xae9ce3a8> Close
Synonyms:	Value Source PGG2 ChEBI (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoate HMDB (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid HMDB 9,11-Epidioxy-15-hydroperoxy-prosta-5,13-dien-1-Oate HMDB 9,11-Epidioxy-15-hydroperoxy-prosta-5,13-dien-1-Oic acid HMDB 9S,11R-Epidioxy-15S-hydroperoxy-5Z,13E-prostadienoate HMDB 9S,11R-Epidioxy-15S-hydroperoxy-5Z,13E-prostadienoic acid HMDB Endoperoxide g2 HMDB PGG(2) HMDB
Chemical Formula:
Weight:	Average: Not Available Monoisotopic: Not Available
InChI Key:	Not Available
InChI:	Not Available
CAS number:	Not Available
IUPAC Name:	(5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Traditional IUPAC Name:	prostaglandin G2
SMILES:	Not Available
Chemical Taxonomy
Description	belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
Kingdom	Organic compounds
Super Class	Lipids and lipid-like molecules
Class	Fatty Acyls
Sub Class	Eicosanoids
Direct Parent	Prostaglandins and related compounds
Alternative Parents	Long-chain fatty acids Hydroperoxy fatty acids Heterocyclic fatty acids Unsaturated fatty acids 1,2-dioxanes Allylic hydroperoxides 1,2-dioxolanes Dialkyl peroxides Peroxols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Alkyl hydroperoxides Hydrocarbon derivatives Carbonyl compounds
Substituents	Prostaglandin skeleton Long-chain fatty acid Hydroperoxy fatty acid Heterocyclic fatty acid Ortho-dioxane Fatty acid Unsaturated fatty acid Allylic hydroperoxide Ortho-dioxolane Dialkyl peroxide Hydroperoxide Alkyl hydroperoxide Carboxylic acid derivative Carboxylic acid Oxacycle Monocarboxylic acid or derivatives Organoheterocyclic compound Peroxol Hydrocarbon derivative Carbonyl group Organic oxygen compound Organooxygen compound Organic oxide Aliphatic heteropolycyclic compound
Molecular Framework	Aliphatic heteropolycyclic compounds
External Descriptors	prostaglandins G (CHEBI:27647 ) Prostaglandins (C05956 ) Prostaglandins (LMFA03010009 )
Physical Properties
State:	Not Available
Charge:	-1
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 0.026 g/L ALOGPS logP 4.31 ALOGPS logP 4.41 ChemAxon logS -4.2 ALOGPS pKa (Strongest Acidic) 4.36 ChemAxon pKa (Strongest Basic) -4.2 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 85.22 Ų ChemAxon Rotatable Bond Count 13 ChemAxon Refractivity 99.39 m³·mol⁻¹ ChemAxon Polarizability 40.85 ų ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Membrane
Reactions:
SMPDB Pathways:	Not Available
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Not Available
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 27647 HMDB ID HMDB0003235 Pubchem Compound ID 5280883 Kegg ID C05956 ChemSpider ID 4444406 Wikipedia ID Prostaglandin G2 BioCyc ID Not Available