Structure Information
Structure

Compound Identification

SMILES

[Co++].[C]#N.C[C@H](CN=C(O)CC[C@]1(C)[C@@H](CC(O)=N)[C@H]2N=C1C(C)=C1N=C(C=C3N=C(C(C)=C4N[C@]2(C)[C@@](C)(CC(O)=N)[C@@H]4CCC(O)=N)[C@@](C)(CC(O)=N)[C@@H]3CCC([O-])=N)C(C)(C)[C@@H]1CCC([O-])=N)OP(O)(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)[n+]1c[nH]c2cc(C)c(C)cc12

InChIKey

InChIKey=RMRCNWBMXRMIRW-WZHZPDAFSA-M

Formula

C63H89CoN14O14P

Mass

1356.395

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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 - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Fatty amide - Fatty acyl - Pyrroline - Pyrrolidine - Imidazole - Azole - Tetrahydrofuran - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Ketimine - Oxacycle - Azacycle - Organic transition metal salt - Carbene-type 1,3-dipolar compound - Carboxylic acid derivative - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Imine - Primary alcohol - Organic salt - Organic cobalt salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - 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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