Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[NH+](CCCNC(=O)CCCCC1SC[C@]2(C)NC(=O)N[C@]12C)CCCN1C(=O)C2=CC=C3C(=O)N(CCC[NH+](C)CCCNC(=O)CCCCC4SC[C@@]5(C)NC(=O)N[C@@]45C)C(=O)C4=C3C2=C(C=C4)C1=O
InChIKey
InChIKey=VEYZKLTWVZOFPR-XGQKLQCVSA-N
Formula
C56H76F6N10O12S2
Mass
1259.39
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
Bipyridines and oligopyridines Isoquinolones and derivatives Naphthalenes Thienoimidazolidines Pyridinones Imidazolidinones N-acyl amines Heteroaromatic compounds Thiophenes Thiolanes Alpha-halocarboxylic acids Quaternary ammonium salts Ureas Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Carbonyl compounds Organic oxides Organofluorides Organic zwitterions Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Biotin_derivative - Bipyridine - Isoquinolone - Naphthalene - Isoquinoline - Thienoimidazolidine - Pyridinone - Pyridine - N-acyl-amine - Fatty amide - Fatty acyl - Imidazolidinone - Benzenoid - Thiolane - Thiophene - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Quaternary ammonium salt - Imidazolidine - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Urea - Tertiary aliphatic amine - Lactam - Tertiary amine - Secondary carboxylic acid amide - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Azacycle - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Amine - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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