Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OS(O)(=O)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCc4nnn[nH]4)[C@@]3(C)CC[C@H]21

InChIKey

InChIKey=HCFCWKBLCGCGKY-IFJDUOSNSA-N

Formula

C25H42N4O5S

Mass

510.69

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Vitamin D and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Vitamin D and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Polycyclic triterpenoid - Triterpenoid - Sulfated steroid skeleton - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Heteroaromatic compound - Tetrazole - Organic sulfuric acid or derivatives - Azole - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.

External Descriptors

Not available

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