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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
-
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
Diterpenoids Delta amino acids and derivatives Pyrrolines Pyrrolidines 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 - 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