Structure Information
Structure

Compound Identification

SMILES

C[C@H](CNC(=O)CC[C@@H]1[C@@H](CC(N)=O)C2N=C1\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=RVCLEYCCFQYXDH-YYNWCHSSSA-N

Formula

C60H86N13O14P

Mass

1244.399

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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 - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Benzenoid - Pyrrolidine - Azole - Pyrroline - Oxolane - Imidazole - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketimine - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Imine - Organonitrogen compound - Amine - 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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