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Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Subclass

Corrinoids

Intermediate Tree Nodes

Not available

Direct Parent

Cobalamin derivatives

Alternative Parents

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

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