Compound Identification
SMILES
CC\C(O)=C1/[C@H]2[C@]34OC5(C)O[C@@]3([C@H](O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)c2ccoc2)[C@]2(COC(C)=O)[C@@H](CC(=O)OC)[C@]3(C)C[C@]2(O5)[C@](O)([C@H]3OC(C)=O)[C@H]4OC1=O
InChIKey
InChIKey=MIUQKPAQADBEDZ-GFOIVMLRSA-N
Formula
C40H48O19
Mass
832.805
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
Hexacarboxylic acids and derivatives Diterpene lactones Diterpenoids 1,3-dioxepanes Ortho esters Carboxylic acid orthoesters Delta valerolactones 1,3-dioxanes Oxanes Vinylogous acids Tertiary alcohols 1,3-dioxolanes Methyl esters Heteroaromatic compounds Furans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Enols Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Prostaglandin skeleton - Diterpene lactone - Diterpenoid - Hexacarboxylic acid or derivatives - 1,3-dioxepane - Carboxylic acid orthoester - Delta valerolactone - Dioxepane - Delta_valerolactone - Ortho ester - Meta-dioxane - Oxane - Meta-dioxolane - Cyclic alcohol - Heteroaromatic compound - Vinylogous acid - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Lactone - Carboxylic acid ester - Orthocarboxylic acid derivative - Secondary alcohol - Enol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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