Compound Identification
SMILES
NC1=NC2=C(C[C@@H](CC2)NCCOC(=O)CCCC[C@H]2CCSS2)S1
InChIKey
InChIKey=YNGHKJWNRNHNQI-OLZOCXBDSA-N
Formula
C17H27N3O2S3
Mass
401.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dithiolanes
- Subclass Lipoic acids and derivatives
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Class
Dithiolanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dithiolanes
Subclass
Lipoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lipoic acids and derivatives
Alternative Parents
Fatty acid esters Aralkylamines 2-amino-1,3-thiazoles Heteroaromatic compounds 1,2-dithiolanes Organic disulfides Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lipoic_acid_derivative - Fatty acid ester - Aralkylamine - 1,3-thiazol-2-amine - Fatty acyl - Azole - Thiazole - Heteroaromatic compound - 1,2-dithiolane - Amino acid or derivatives - Carboxylic acid ester - Organic disulfide - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.
External Descriptors
Not available