Compound Identification
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(C[C@@H](C[C@]12C)C1=CC=C(C=C1)N(C)C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIKey
InChIKey=GDNQZMLEQWMCOA-JPCHMBIYSA-N
Formula
C35H53NO3
Mass
535.813
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Vitamin D and derivatives
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
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
Triterpenoids Dialkylarylamines Aniline and substituted anilines Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triterpenoid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Tertiary amine - Secondary alcohol - Amine - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic 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
LIPIDMAPS (LMST03020538) : Vitamin D3 and derivatives