Structure Information
Structure

Compound Identification

SMILES

[Co+3].[CH2-]C1O[C@@H]([C@@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N.CC(CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(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)OC1[C@@H](CO)O[C@@H](C1O)N1C=NC2=C1C=C(C)C(C)=C2

InChIKey

InChIKey=OAJLVMGLJZXSGX-VCABRDNDSA-L

Formula

C72H100CoN18O17P

Mass

1579.608

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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 - 5'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Benzimidazole - Imidazopyrimidine - Purine - Phosphoethanolamine - Aminopyrimidine - Dialkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Fatty amide - Phosphoric acid ester - Imidolactam - Pyrimidine - Alkyl phosphate - Fatty acyl - Benzenoid - Pyrroline - Pyrrolidine - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Azole - Ketimine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic transition metal salt - Carbene-type 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organic salt - Imine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic nitrogen compound - Primary amine - Amine - Organic zwitterion - Organic cobalt salt - 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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