Structure Information
Structure

Compound Identification

SMILES

[Co].COC1=CC2=C(C=C1)N(C=N2)[C@H]1O[C@H](CO)[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)C3=N\C2=C(C)/C2=N/C(=C\C4=N\C(=C(C)/C5=N[C@]3(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)\[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)/C(C)(C)[C@@H]2CCC(N)=O)[C@H]1O

InChIKey

InChIKey=VSEQFANUCOECHW-VSTXFNHGSA-M

Formula

C61H85CoN13O15P

Mass

1330.335

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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 - Benzimidazole - Anisole - Phosphoethanolamine - Alkyl aryl ether - Dialkyl phosphate - Fatty amide - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Benzenoid - Azole - Oxolane - Pyrroline - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Ketimine - Organic transition metal salt - Carboxylic acid derivative - Azacycle - Oxacycle - Ether - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Imine - Organic oxide - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic anion - 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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