Structure Information
Structure

Compound Identification

SMILES

O.[OH-].[Co++].CC(CNC(=O)CC[C@]1(C)C(CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\N\C(=C(C)/C4=NC2(C)[C@@](C)(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)OC1C(CO)OC(C1O)N1C=NC2=C1C=C(C)C(C)=C2

InChIKey

InChIKey=KUHFCPNROQFOHN-ZHZOHWOGSA-L

Formula

C62H92CoN13O16P

Mass

1365.4

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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 - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic 1,3-dipolar compound - Organic transition metal salt - Primary alcohol - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organic zwitterion - Organic hydroxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic cobalt salt - Organic salt - Amine - 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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