Compound Identification
SMILES
CC1OC(=O)CC2(C)C(CCC([O-])=O)C3=CC4=[N+]5C(CC6(C)N7C(=CC8=[N+]9C(=C(CC([O-])=O)C8(C)CCC([O-])=O)C12N3[Co]579)C(CCC([O-])=O)=C6CC([O-])=O)=C(CCC([O-])=O)C4(C)CC([O-])=O
InChIKey
InChIKey=BFOLHDVSWWNDKC-UHFFFAOYSA-E
Formula
C45H45CoN4O16
Mass
956.803
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
Sesterterpenoids Metallotetrapyrroles Delta valerolactones Oxanes Pyrrolines Pyrrolidines Carboxylic acid esters Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Organic transition metal salts Carboxylic acids Metalloheterocyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Precorrin - Sesterterpenoid - Metallotetrapyrrole skeleton - Delta valerolactone - Delta_valerolactone - Oxane - Pyrroline - Pyrrolidine - Carboxylic acid ester - Carboxylic acid salt - Lactone - Oxacycle - Azacycle - Organic metal salt - Organic transition metal salt - Carboxylic acid derivative - Carboxylic acid - Metalloheterocycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic salt - Organic anion - 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