Structure Information
Structure

Compound Identification

SMILES

[Co].OS([O-])=O.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=JDGPZBVWXOJQRT-QPQIGISYSA-L

Formula

C62H90CoN13O17PS

Mass

1411.44

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