Compound Identification
SMILES
O\C=C1/CC[C@@H](C(O)=O)[C@]23C=C[C@@H]4[C@H](CC[C@]44C[C@@H]5CC[C@@H](C[C@H]5C4)c4ccccc4)[C@@]45[C@H](CCC[C@@]24CCC2=C5C[C@@]45C=CC[C@]67CC#CC[C@@H](C8=C9C=CC=CC9=C[C@H](C8=C4)[C@]2(CC[C@@H]6O)[C@@H]57)c2cccc(c2)C2=CC=C(NC2)NCCC[C@H]1C1CCCCC1)[C@H]3O
InChIKey
InChIKey=IKEYONPATLWENN-VCIPULMLSA-N
Formula
C87H100N2O5
Mass
1253.766
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
- Subclass Vitamin D and derivatives
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Class
Steroids and steroid derivatives
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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
Xanthophylls Ergostane steroids Polyprenols Retinoids Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids Stilbenes Short-chain hydroxy acids and derivatives Hydroxy fatty acids Heterocyclic fatty acids Dihydropyridines Branched fatty acids Benzene and substituted derivatives Secondary alcohols Cyclic alcohols and derivatives Amino acids Monocarboxylic acids and derivatives Haloacetylenes and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthophyll - Carotenoid - Ergostane-skeleton - Retinoic acid - Polyprenol skeleton - 8,9-secoeremophilane skeleton - Stilbene - Short-chain hydroxy acid - Hydroxy fatty acid - Heterocyclic fatty acid - Dihydropyridine - Branched fatty acid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Amino acid - Secondary alcohol - Amino acid or derivatives - Haloacetylene or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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