Compound Identification
SMILES
CC1(C\C=C\CCCCCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)OC2=C(C=C1)C1=C(C=C2)C2=C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C(C)(C)C2=[N+]1[O-]
InChIKey
InChIKey=ZGDIZBNHOFDKIC-BKQLCXSESA-N
Formula
C46H59N5O7S
Mass
826.07
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
Isoquinolones and derivatives 1-benzopyrans Azaspirodecane derivatives Alpha amino acids and derivatives Indolizidines Indoles and derivatives Thienoimidazolidines 2,5-dioxopiperazines Piperidinones Delta lactams Fatty acid esters N-alkylpiperazines Alkyl aryl ethers Benzenoids Imidazolidinones Thiolanes Tertiary carboxylic acid amides Thiophenes Pyrrolidines Ureas Secondary carboxylic acid amides Carboxylic acid esters Nitrones Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Organic zwitterions Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin - Biotin_derivative - Isoquinolone - Benzopyran - Alpha-amino acid or derivatives - 1-benzopyran - Azaspirodecane - Indole or derivatives - Indolizidine - Dioxopiperazine - 2,5-dioxopiperazine - Thienoimidazolidine - Alkyl aryl ether - Delta-lactam - Fatty acid ester - N-alkylpiperazine - Piperidinone - Fatty acyl - 1,4-diazinane - Imidazolidinone - Piperazine - Piperidine - Benzenoid - Pyrrolidine - Thiophene - Thiolane - Tertiary carboxylic acid amide - Imidazolidine - Secondary carboxylic acid amide - Urea - Carboxamide group - Nitrone - Carboxylic acid ester - Lactam - Oxacycle - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkylthioether - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - 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