Compound Identification
SMILES
CC\C(O)=C1/[C@H]2[C@]34OC5(C)O[C@@]3([C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(C)=O)c2ccoc2)[C@]23COC(=O)C[C@H]2[C@]2(C)C[C@]3(O5)[C@](O)([C@H]2OC(C)=O)[C@H]4OC1=O
InChIKey
InChIKey=BCCQXZBLFBDHTR-VPZILZGDSA-N
Formula
C43H52O18
Mass
856.871
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 Ortho esters 1,3-dioxepanes Carboxylic acid orthoesters Delta valerolactones Oxanes 1,3-dioxanes Vinylogous acids Tertiary alcohols 1,3-dioxolanes Heteroaromatic compounds Furans Enoate esters 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 - Oxane - Meta-dioxane - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Furan - Cyclic alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Enol - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - 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