Structure Information
Structure

Compound Identification

SMILES

[Co].[CH2-]CCCCN1C=NC2=C1N=CN=C2N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N-]\C1=C(C)/[C@H]1[N-]\C(=C/C3[N-]\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)[N+]1=C[N-]C2=C1C=C(C)C(C)=C2

InChIKey

InChIKey=BKRZOJRWANPDQJ-QMJKFMLISA-N

Formula

C72H106CoN18O14P

Mass

1537.662

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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

Not available

Substituents

Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Imidazopyrimidine - Purine - Phosphoethanolamine - Aminopyrimidine - Dialkyl phosphate - Fatty amide - Fatty acyl - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Phosphoric acid ester - Benzenoid - Pyrimidine - Alkyl phosphate - Pyrrolidine - Heteroaromatic compound - Imidazole - Azole - Oxolane - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Primary carboxylic acid amide - Carbene-type 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organic transition metal salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Primary amine - Organonitrogen compound - Carbonyl group - Organic salt - Organic oxygen compound - Organooxygen compound - Alcohol - Amine - 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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