Compound Identification
SMILES
CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)CC(C#N)=C(O)C(C)(C)[C@@H]2CC[C@@]31C)C(=O)NCCCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12
InChIKey
InChIKey=HUTMONJPUMYBDO-PDJAEKNUSA-N
Formula
C47H71N5O5S
Mass
818.18
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
Naphthalenecarboxamides Thienoimidazolidines Cyclohexenones N-acyl amines Imidazolidinones Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Nitriles Enols Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Biotin_derivative - 2-naphthalenecarboxamide - Thienoimidazolidine - Cyclohexenone - Fatty amide - Imidazolidinone - Fatty acyl - N-acyl-amine - Imidazolidine - Thiophene - Thiolane - Carboxamide group - Ketone - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Enol - Azacycle - Dialkylthioether - Thioether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Aliphatic 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