Compound Identification
SMILES
CC1=C2N[C@](C)([C@H]3N=C(C(C)=C4N=C(C=C5N=C1[C@](C)(CC(N)=O)[C@H]5CCC(O)=O)C(C)(C)[C@H]4CCC(O)=O)[C@@](C)(CCC(O)=O)[C@@H]3CC(O)=O)[C@](C)(CC(N)=O)[C@H]2CCC(O)=O
InChIKey
InChIKey=JJMDOVLPFPOLFZ-RHRLNISKSA-N
Formula
C45H62N6O12
Mass
879.021
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Pentacarboxylic acids and derivatives Delta amino acids and derivatives Fatty amides Pyrrolines Pyrrolidines Primary carboxylic acid amides Ketimines Amino acids Propargyl-type 1,3-dipolar organic compounds Enamines Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Precorrin - Pentacarboxylic acid or derivatives - Delta amino acid or derivatives - Fatty amide - Fatty acyl - Pyrrolidine - Pyrroline - Amino acid - Ketimine - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Azacycle - Organopnictogen compound - Imine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - 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