Compound Identification
SMILES
CC(C)CC(=O)OC1C(=O)C23C(=O)C=CC2(COC3(C)C)C2CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1
InChIKey
InChIKey=XCCVRHOIHNXBNH-UHFFFAOYSA-N
Formula
C31H36O9
Mass
552.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
- Subclass Eicosanoids
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Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Eicosanoids
Intermediate Tree Nodes
Not available
Direct Parent
Prostaglandins and related compounds
Alternative Parents
Steroid lactones Oxosteroids Naphthopyrans Naphthalenes 1,4-dioxepanes Alpha-acyloxy ketones Fatty acid esters Delta valerolactones Pyrans Oxanes Dicarboxylic acids and derivatives Oxolanes Heteroaromatic compounds Furans Ketones Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Prostaglandin skeleton - Steroid lactone - 18-oxosteroid - 12-oxosteroid - Oxosteroid - 2-oxosteroid - Steroid - Naphthopyran - Naphthalene - Delta_valerolactone - 1,4-dioxepane - Fatty acid ester - Delta valerolactone - Dioxepane - Alpha-acyloxy ketone - Oxane - Dicarboxylic acid or derivatives - Pyran - Oxolane - Furan - Heteroaromatic compound - Lactone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Oxirane - Ether - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound 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.
External Descriptors
Not available