Compound Identification
SMILES
COC(=O)CC[C@@H]1\C2=C(NC(=O)C3=CC(=NC=C3)C3=NC=CC(C)=C3)\C3=N\C(\[C@@H](CCC(=O)OC)C3(C)C)=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)=C(N2)[C@@]1(C)CC(=O)OC
InChIKey
InChIKey=XNYOWTPLFNBGOV-FZWYYPFZSA-N
Formula
C64H83N7O15
Mass
1190.402
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Tetrapyrroles and derivatives
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Subclass
Corrinoids
- Level 5 Precorrins
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Subclass
Corrinoids
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Corrinoids
Intermediate Tree Nodes
Not available
Direct Parent
Precorrins
Alternative Parents
Bipyridines and oligopyridines Pyridinecarboxylic acids and derivatives Methylpyridines Fatty acid esters Pyrrolines Pyrrolidines Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Enamines Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Precorrin - Bipyridine - Pyridine carboxylic acid or derivatives - Methylpyridine - Fatty acid ester - Fatty acyl - Pyridine - Heteroaromatic compound - Methyl ester - Pyrroline - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketimine - Secondary carboxylic acid amide - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Imine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Aromatic 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