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Structure Information
Structure

Compound Identification

SMILES

C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1C(C)=C1N=C(C=C3N\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=NEZOEVMZBDYNHZ-TXCHBBRHSA-N

Formula

C62H90N13O14P

Mass

1272.453

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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 - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Monosaccharide - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Benzenoid - Fatty amide - Imidazole - Oxolane - Pyrrolidine - Pyrroline - Azole - Heteroaromatic compound - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Ketimine - Carboxamide group - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Primary alcohol - Imine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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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