Compound Identification
SMILES
CC(CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1C(C)=C1N=C(C=C3NC(=C(C)C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(N)=O)OP(O)(=O)OC1C(CO)OC(C1O)N1C=NC2=CC(Cl)=C(Cl)C=C12
InChIKey
InChIKey=XQUOQFKBYZNIMJ-UHFFFAOYSA-N
Formula
C60H84Cl2N13O14P
Mass
1313.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
-
Subclass
Corrinoids
- Level 5 Cobalamin derivatives
-
Subclass
Corrinoids
-
Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Corrinoids
Intermediate Tree Nodes
Not available
Direct Parent
Cobalamin derivatives
Alternative Parents
Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Fatty amides N-substituted imidazoles Benzenoids Aryl chlorides Pyrrolines Tetrahydrofurans Heteroaromatic compounds Pyrrolidines Primary carboxylic acid amides Ketimines Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives Enamines Azacyclic compounds Dialkylamines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - 1-ribofuranosylbenzimidazole - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty acyl - Fatty amide - Organic phosphoric acid derivative - Benzenoid - Alkyl phosphate - Monosaccharide - Aryl chloride - Aryl halide - Phosphoric acid ester - N-substituted imidazole - Heteroaromatic compound - Tetrahydrofuran - Azole - Pyrroline - Imidazole - Pyrrolidine - Carboxamide group - Secondary alcohol - Amino acid or derivatives - Ketimine - Primary carboxylic acid amide - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Enamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Primary alcohol - Imine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cobalamin derivatives. These are organic compounds containing a corrin ring, a cobalt atom, an a nucleotide moiety. Cobalamin Derivatives are actually derived from vitamin B12.
External Descriptors
Not available