Structure Information
Structure

Compound Identification

SMILES

CC(CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\NC(\C(C)=C4/NC2C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(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=PLNAGHMQXOKQJQ-XPRQZSRWSA-N

Formula

C61H90N13O14P

Mass

1260.442

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