Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC[C@@H]1\C2=C(C)\C3=NC([C@H](CC(=O)OC)[C@@]3(C)CCC(=O)OC)[C@]3(C)N=C([C@@H](CCC(=O)OC)[C@]3(C)CC(=O)OC)C(C)=C3N\C(=C/C(=N2)C1(C)C)[C@@](O)(CCC(=O)OC)[C@]3(C)CC(=O)NCCO

InChIKey

InChIKey=HCQUHMHQTDPECC-UQDIRTHUSA-N

Formula

C53H77N5O15

Mass

1024.219

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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

Precorrins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Precorrin - Hexacarboxylic acid or derivatives - N-acylethanolamine - Fatty acid ester - Fatty amide - Fatty acyl - Pyrrolidine - Pyrroline - Methyl ester - Tertiary alcohol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketimine - Secondary carboxylic acid amide - Azacycle - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Alkanolamine - Secondary aliphatic amine - Enamine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Imine - Amine - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as precorrins. These are intermediates formed by methylation at one or more of the four rings prior to the formation of the macrocyclic corrin ring.

External Descriptors

Not available

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