Compound Identification
SMILES
OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccc(cc2)-c2cn(CCOCCOCCOCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@@H]34)nn2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)C(O)=O
InChIKey
InChIKey=KAFFYZSIXAGOKP-MORLPGTKSA-N
Formula
C52H68N8O16S
Mass
1093.22
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
C-glucuronides C-glycosyl compounds Phenylacetamides Thienoimidazolidines Thia fatty acids Short-chain hydroxy acids and derivatives Ketals Hydroxy fatty acids Heterocyclic fatty acids 1-hydroxy-2-unsubstituted benzenoids Pyrans Oxanes N-acyl amines Imidazolidinones Triazoles Thiophenes Thiolanes Heteroaromatic compounds Secondary alcohols Organic carbonic acids and derivatives Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkyl ethers Carboxylic acids Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - C-glucuronide - Glycosyl compound - C-glycosyl compound - Phenylacetamide - Thienoimidazolidine - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Thia fatty acid - Short-chain hydroxy acid - Phenol - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Benzenoid - Pyran - Oxane - N-acyl-amine - Imidazolidinone - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,3-triazole - Thiophene - Thiolane - Imidazolidine - Azole - Secondary alcohol - Carbonic acid derivative - Carboxamide group - Oxacycle - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - 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