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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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
Hexacarboxylic acids and derivatives N-acylethanolamines Fatty acid esters Fatty amides Tertiary alcohols Pyrrolines Pyrrolidines Methyl esters Secondary carboxylic acid amides Amino acids and derivatives Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Enamines Carbonyl compounds Primary alcohols Organic oxides Hydrocarbon derivatives
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