Compound Identification
SMILES
OC[C@@H]1CC[C@H](O1)N1N=CC2=C1N=CN=C2NCCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12
InChIKey
InChIKey=TXHHQOLFSZLMTQ-XLMYMOKYSA-N
Formula
C30H47N9O5S
Mass
645.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Biotin and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Biotin and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Biotin and derivatives
Alternative Parents
Pyrazolo[3,4-d]pyrimidines Thienoimidazolidines Aminopyrimidines and derivatives Imidazolidinones Imidolactams N-acyl amines Heteroaromatic compounds Thiophenes Thiolanes Oxolanes Pyrazoles Secondary carboxylic acid amides Ureas Azacyclic compounds Oxacyclic compounds Dialkylthioethers Hydrocarbon derivatives Amines Organic oxides Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Thienoimidazolidine - Aminopyrimidine - Fatty amide - Imidazolidinone - N-acyl-amine - Pyrimidine - Imidolactam - Fatty acyl - Thiophene - Thiolane - Heteroaromatic compound - Pyrazole - Azole - Oxolane - Imidazolidine - Urea - Secondary carboxylic acid amide - Carboxamide group - Thioether - Oxacycle - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Alcohol - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
External Descriptors
Not available