Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CC3=C(CCC(O)=O)[C@](C)(CC(O)=O)C(C=C4N[C@@](C)([C@@H]5N=C(CC(=N1)C(CCC(O)=O)=C2CC(O)=O)[C@](C)(CCC(O)=O)[C@H]5CC(O)=O)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)=N3

InChIKey

InChIKey=KIAIWUYRVXWYAI-CXWRYADNSA-N

Formula

C44H56N4O16

Mass

896.944

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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 - Diterpenoid - Delta amino acid or derivatives - Pyrrolidine - Pyrroline - Amino acid or derivatives - Ketimine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Azacycle - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Imine - Carbonyl group - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen 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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