Compound Identification
SMILES
C[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)[C@H]2C=C(C)[C@H]3C[C@H]4[C@@H]([C@H]3[C@@H]2[C@H]1OC(=O)C1=CC=CC=C1)[C@@]12O[C@@]11O[C@@]4(C)CC[C@@H](OC2=O)[C@H]1C
InChIKey
InChIKey=RRNQMFSBADIENO-IQAAZBQPSA-N
Formula
C38H40O8
Mass
624.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
- Subclass Eicosanoids
-
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
Benzoic acid esters Benzoyl derivatives Oxepanes Delta valerolactones 1,4-dioxepanes 1,3-dioxepanes Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Prostaglandin skeleton - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Oxepane - 1,4-dioxepane - Delta_valerolactone - Dioxepane - Delta valerolactone - 1,3-dioxepane - Benzenoid - Oxane - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Oxirane - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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