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Structure Information
Structure

Compound Identification

SMILES

[OH-].Cl.[Co+3].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)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2

InChIKey

InChIKey=CGILFMTUCMTNCZ-VRVFKZEISA-M

Formula

C62H92ClCoN13O15P

Mass

1384.85

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