Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CN(CCCNC(=O)CC[C@@H]1C2=CC3=NC([C@@H](CCC(N)=O)C3(C)C)=C(C)C3=N[C@H]([C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@H](C)OP(O)(=O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]3O)N3C=NC4=C3C=C(C)C(C)=C4)[C@]3(C)N=C([C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)\C(C)=C(/N2)[C@@]1(C)CC(N)=O)CC1=CC=CC=N1

InChIKey

InChIKey=KXDLOSGRKJKPGM-LQNIBJFVSA-N

Formula

C75H108N15O16P

Mass

1506.752

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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 - Alpha-amino acid ester - Glycosyl compound - N-glycosyl compound - Alpha-amino acid or derivatives - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - 2-pyridylmethylamine - Phosphoethanolamine - Aralkylamine - Dialkyl phosphate - Fatty amide - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Pyridine - Alkyl phosphate - Benzenoid - Azole - Pyrroline - Pyrrolidine - Heteroaromatic compound - Imidazole - Oxolane - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketimine - Amino acid or derivatives - Organic 1,3-dipolar compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Primary alcohol - Organic oxide - Hydrocarbon derivative - Alcohol - Imine - Organic nitrogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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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