Structure Information
Structure

Compound Identification

SMILES

[Co++].[Co+3].[C-]#N.[C-]#N.Cl[Co]Cl.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=C1C=C(C)C(C)=C2.CC(CNC(=O)CCC1(C)C(CC(N)=O)C2=NC1=C(C)C1=NC(=CC3=NC(=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=C1C=C(C)C(C)=C2

InChIKey

InChIKey=BCCCHEVUMJVQQK-UHFFFAOYSA-K

Formula

C126H177Cl2Co3N28O28P2

Mass

2841.62

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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

Not available

Substituents

Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty acyl - Benzenoid - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Fatty amide - Heteroaromatic compound - Tetrahydrofuran - Pyrroline - Pyrrolidine - Imidazole - Azole - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Ketimine - Carboxamide group - Amino acid or derivatives - Organic metal halide - Oxacycle - Azacycle - Transition metal cyanide salt - Organic metal salt - Organic transition metal salt - Secondary amine - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic cobalt salt - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Amine - Alcohol - Organic cation - 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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