Compound Identification
SMILES
CN(CCCNC(=O)CCCCC1SCC2NC(=O)NC12)CCC[N-]C1=C(C=C(N[N+]#N)C=C1)[N+]([O-])=O
InChIKey
InChIKey=DHQQRVNFXAJHDU-UHFFFAOYSA-N
Formula
C23H35N9O4S
Mass
533.65
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
Nitrobenzenes Thienoimidazolidines Nitroaromatic compounds Phenylhydrazines Imidazolidinones N-acyl amines Thiophenes Thiolanes Amino acids and derivatives Ureas Trialkylamines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Thienoimidazolidine - Monocyclic benzene moiety - Fatty amide - Imidazolidinone - N-acyl-amine - Benzenoid - Fatty acyl - Imidazolidine - Thiophene - Thiolane - Organic nitro compound - Carboxamide group - Amino acid or derivatives - Urea - Tertiary aliphatic amine - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Thioether - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - 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