Structure Information
Structure

Compound Identification

SMILES

[Co++].[N-]=[N+]=[N-].CC(CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\N\C(=C(C)/C4=N[C@]2(C)[C@@H](CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2

InChIKey

InChIKey=JRZCUOAYTYSUOJ-BDMDPQEUSA-M

Formula

C61H87CoN16O14P

Mass

1358.372

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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 - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty acyl - Fatty amide - Phosphoric acid ester - Monosaccharide - Benzenoid - N-substituted imidazole - Alkyl phosphate - Organic phosphoric acid derivative - Oxolane - Pyrroline - Pyrrolidine - Heteroaromatic compound - Imidazole - Azole - Carboxamide group - Ketimine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Oxacycle - Organic 1,3-dipolar compound - Organic transition metal salt - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic cobalt salt - Organic salt - Organic nitrogen compound - Imine - Primary alcohol - Hydrocarbon derivative - Alcohol - Amine - Organic zwitterion - Organonitrogen 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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