Structure Information
Structure

Compound Identification

SMILES

[Co].FC1=C(F)C(F)=C(S)C(F)=C1F.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=XXYSFQDJUVYTCQ-QPQIGISYSA-M

Formula

C68H90CoF5N13O14PS

Mass

1530.5

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