Structure Information
Structure

Compound Identification

SMILES

[Co++].[O-]S([O-])=O.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=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)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2

InChIKey

InChIKey=DFMJGMSCDBEUOQ-IQAFVLEWSA-K

Formula

C62H89CoN13O17PS

Mass

1410.44

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